6-phenyloctadecanoic acid

C24H40O2 — CID 56981512

IUPAC6-phenyloctadecanoic acid
SMILESCCCCCCCCCCCCC(CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-23(20-15-16-21-24(25)26)22-18-13-11-14-19-22/h11,13-14,18-19,23H,2-10,12,15-17,20-21H2,1H3,(H,25,26)
InChIKeyGCYCUQIUWBNQRM-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.73
Rot. Bonds17

About 6-phenyloctadecanoic acid

6-phenyloctadecanoic acid (PubChem CID 56981512) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 6-phenyloctadecanoic acid.

Molecular Properties

Compound Name6-phenyloctadecanoic acid
PubChem CID56981512
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name6-phenyloctadecanoic acid
SMILESCCCCCCCCCCCCC(CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-23(20-15-16-21-24(25)26)22-18-13-11-14-19-22/h11,13-14,18-19,23H,2-10,12,15-17,20-21H2,1H3,(H,25,26)
InChIKeyGCYCUQIUWBNQRM-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

11-phenyloctadecanoic acid
CID 101320092
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 6-phenyloctadecanoic acid?
The IUPAC name of 6-phenyloctadecanoic acid (CID 56981512) is 6-phenyloctadecanoic acid.
What is the SMILES notation for 6-phenyloctadecanoic acid?
The canonical SMILES for 6-phenyloctadecanoic acid is CCCCCCCCCCCCC(CCCCC(=O)O)c1ccccc1.
What is the InChIKey of 6-phenyloctadecanoic acid?
The InChIKey is GCYCUQIUWBNQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-23(20-15-16-21-24(25)26)22-18-13-11-14-19-22/h11,13-14,18-19,23H,2-10,12,15-17,20-21H2,1H3,(H,25,26).
What are the key properties of 6-phenyloctadecanoic acid?
6-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 6-phenyloctadecanoic acid is sourced from PubChem (CID 56981512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).