5,7-Dihydroxy-2,2-dimethylchroman-4-one
5,7-dihydroxy-2,2-dimethyl-3H-chromen-4-one
Molecular Identity
5,7-Dihydroxy-2,2-dimethylchroman-4-one
5,7-dihydroxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID: 821362
2D Structure
Properties
C11H12O4
Molecular Formula
208.21
Molecular Weight
g/mol
208.0736
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
274
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC(=O)C2=C(C=C(C=C2O1)O)O)CIsomeric SMILES
SMILES: CC1(CC(=O)C2=C(C=C(C=C2O1)O)O)CSynonyms(20)
5,7-Dihydroxy-2,2-dimethylchroman-4-one883-09-0DTXSID90356306RefChem:298831DTXCID603073655,7-dihydroxy-2,2-dimethyl-3H-chromen-4-one5,7-Dihydroxy-2,2-dimethyl-chroman-4-oneMFCD020662175,7-dihydroxy-2,2-dimethyl-4-chromanone5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one5,7-dihydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2,2-dimethyl-NP001Oprea1_810900MLS000050117
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5,7-Dihydroxy-2,2-dimethylchroman-4-one
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