(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid

C24H38O3 — CID 67655950

IUPAC(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
SMILESO=C(O)C(O)CCCCCC/C=C\CCCCCCCCc1ccccc1
InChIInChI=1S/C24H38O3/c25-23(24(26)27)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,4,13,15-16,19-20,23,25H,1,3,5-12,14,17-18,21H2,(H,26,27)/b4-2-
InChIKeySFXBQLFNNZJYNF-RQOWECAXSA-N
MW374.56 g/mol
LogP6.30
Rot. Bonds17

About (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid

(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid (PubChem CID 67655950) has the molecular formula C24H38O3 and a molecular weight of 374.56 g/mol. Its IUPAC name is (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
PubChem CID67655950
Molecular FormulaC24H38O3
Molecular Weight374.56 g/mol
Exact Mass374.28
IUPAC Name(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
SMILESO=C(O)C(O)CCCCCC/C=C\CCCCCCCCc1ccccc1
InChIInChI=1S/C24H38O3/c25-23(24(26)27)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,4,13,15-16,19-20,23,25H,1,3,5-12,14,17-18,21H2,(H,26,27)/b4-2-
InChIKeySFXBQLFNNZJYNF-RQOWECAXSA-N
XLogP6.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 56.30
H-Bond Donors ≤ 52
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

(Z)-2,17-dihydroxyoctadec-9-enedioic acid
CID 46781328
2-hydroxy-8-phenyloctanamide
CID 66822616
2-(8-phenyloctyl)propanedioic acid
CID 20544236
N-(8-phenyloct-2-enyl)acetamide
CID 123336500
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
9-phenylnon-2-enamide
CID 123957146
15-phenylpentadecane-1,1-diol
CID 139927269
10-methyl-15-phenylpentadec-8-enoic acid
CID 70475145
2-amino-7-phenylheptanoic acid
CID 85132413

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid?
The IUPAC name of (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid (CID 67655950) is (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid is O=C(O)C(O)CCCCCC/C=C\CCCCCCCCc1ccccc1.
What is the InChIKey of (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid?
The InChIKey is SFXBQLFNNZJYNF-RQOWECAXSA-N. The full InChI is InChI=1S/C24H38O3/c25-23(24(26)27)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,4,13,15-16,19-20,23,25H,1,3,5-12,14,17-18,21H2,(H,26,27)/b4-2-.
What are the key properties of (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid?
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid has a molecular weight of 374.56 g/mol, XLogP of 6.30, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-18-phenyloctadec-9-enoic acid is sourced from PubChem (CID 67655950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).