15-phenylpentadecanoic acid

C21H34O2 — CID 2737151

IUPAC15-phenylpentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)
InChIKeyBKXIGVQZLPZYLM-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.39
Rot. Bonds15

About 15-phenylpentadecanoic acid

15-phenylpentadecanoic acid (PubChem CID 2737151) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 15-phenylpentadecanoic acid.

Molecular Properties

Compound Name15-phenylpentadecanoic acid
PubChem CID2737151
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name15-phenylpentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)
InChIKeyBKXIGVQZLPZYLM-UHFFFAOYSA-N
XLogP6.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.39
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

sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
1,9-diphenylnonan-5-one
CID 23467830
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
7-(4-iodophenyl)heptanoic acid
CID 177483295

Frequently Asked Questions

What is the IUPAC name of 15-phenylpentadecanoic acid?
The IUPAC name of 15-phenylpentadecanoic acid (CID 2737151) is 15-phenylpentadecanoic acid.
What is the SMILES notation for 15-phenylpentadecanoic acid?
The canonical SMILES for 15-phenylpentadecanoic acid is O=C(O)CCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 15-phenylpentadecanoic acid?
The InChIKey is BKXIGVQZLPZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23).
What are the key properties of 15-phenylpentadecanoic acid?
15-phenylpentadecanoic acid has a molecular weight of 318.50 g/mol, XLogP of 6.39, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenylpentadecanoic acid is sourced from PubChem (CID 2737151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).