(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one

C24H38O2 — CID 14228728

IUPAC(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)22-18-20-23(25)21-19-22/h9-10,18-21,25H,2-8,11-17H2,1H3/b10-9-
InChIKeyVSNOPYLLSOEESI-KTKRTIGZSA-N
MW358.57 g/mol
LogP7.61
Rot. Bonds16

About (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one

(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one (PubChem CID 14228728) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
PubChem CID14228728
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)22-18-20-23(25)21-19-22/h9-10,18-21,25H,2-8,11-17H2,1H3/b10-9-
InChIKeyVSNOPYLLSOEESI-KTKRTIGZSA-N
XLogP7.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
4-octadec-9-enoylbenzaldehyde
CID 173082747
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
CID 10948772
[(E)-octadec-6-enyl] 4-hydroxybenzoate
CID 101322355
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343
[(E)-dec-3-enyl] 4-hydroxybenzoate
CID 101322254
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one?
The IUPAC name of (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one (CID 14228728) is (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one.
What is the SMILES notation for (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one?
The canonical SMILES for (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)c1ccc(O)cc1.
What is the InChIKey of (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one?
The InChIKey is VSNOPYLLSOEESI-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)22-18-20-23(25)21-19-22/h9-10,18-21,25H,2-8,11-17H2,1H3/b10-9-.
What are the key properties of (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one?
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one has a molecular weight of 358.57 g/mol, XLogP of 7.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one is sourced from PubChem (CID 14228728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).