11-phenyloctadecanoic acid

C24H40O2 — CID 101320092

IUPAC11-phenyloctadecanoic acid
SMILESCCCCCCCC(CCCCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-8-12-17-22(23-19-14-11-15-20-23)18-13-9-6-5-7-10-16-21-24(25)26/h11,14-15,19-20,22H,2-10,12-13,16-18,21H2,1H3,(H,25,26)
InChIKeyHRFKPNYLLFUPIE-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.73
Rot. Bonds17

About 11-phenyloctadecanoic acid

11-phenyloctadecanoic acid (PubChem CID 101320092) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 11-phenyloctadecanoic acid.

Molecular Properties

Compound Name11-phenyloctadecanoic acid
PubChem CID101320092
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name11-phenyloctadecanoic acid
SMILESCCCCCCCC(CCCCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-8-12-17-22(23-19-14-11-15-20-23)18-13-9-6-5-7-10-16-21-24(25)26/h11,14-15,19-20,22H,2-10,12-13,16-18,21H2,1H3,(H,25,26)
InChIKeyHRFKPNYLLFUPIE-UHFFFAOYSA-N
XLogP7.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-phenyloctadecanoic acid
CID 56981512
4-phenyldodecanoic acid
CID 67722235
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
barium(2+);bis(7-phenyloctadecanoate)
CID 101320086
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
5-phenylnonanedioic acid
CID 54103206
cumene;octanoic acid
CID 174815768
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
calcium bis(14-phenyloctadecanoate)
CID 101320116
10-(4-ethenylphenyl)nonadecanoic acid
CID 100987364
9-(4-sulfophenyl)octadecanoic acid
CID 141320101

Frequently Asked Questions

What is the IUPAC name of 11-phenyloctadecanoic acid?
The IUPAC name of 11-phenyloctadecanoic acid (CID 101320092) is 11-phenyloctadecanoic acid.
What is the SMILES notation for 11-phenyloctadecanoic acid?
The canonical SMILES for 11-phenyloctadecanoic acid is CCCCCCCC(CCCCCCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 11-phenyloctadecanoic acid?
The InChIKey is HRFKPNYLLFUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-4-8-12-17-22(23-19-14-11-15-20-23)18-13-9-6-5-7-10-16-21-24(25)26/h11,14-15,19-20,22H,2-10,12-13,16-18,21H2,1H3,(H,25,26).
What are the key properties of 11-phenyloctadecanoic acid?
11-phenyloctadecanoic acid has a molecular weight of 360.58 g/mol, XLogP of 7.73, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyloctadecanoic acid is sourced from PubChem (CID 101320092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).