3-Heptadecylcatechol
3-heptadecylbenzene-1,2-diol
Molecular Identity
3-Heptadecylcatechol
3-heptadecylbenzene-1,2-diol
PubChem CID: 119222
3-heptadecylcatechol is catechol substituted at position 3 with a heptadecyl group.
2D Structure
Properties
C23H40O2
Molecular Formula
348.60
Molecular Weight
g/mol
348.3028
Exact Mass
Da
10.1
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
279
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)OIsomeric SMILES
SMILES: CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)OSynonyms(20)
3-Heptadecylcatechol3-heptadecylbenzene-1,2-diol5862-27-1heptadecylcatechol3-Heptadecyl-1,2-benzenediolCHEBI:591121,2-Benzenediol, 3-heptadecyl-29R0483XLZDTXSID60207331RefChem:94004DTXCID601298223-n-heptadecylcatechol3-heptadecylpyrocatechol3-n-heptadecylpyrocatecholHDC
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Heptadecylcatechol
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