2-(4-methyl-3-pentadecylphenyl)acetic acid

C24H40O2 — CID 141255119

IUPAC2-(4-methyl-3-pentadecylphenyl)acetic acid
SMILESCCCCCCCCCCCCCCCc1cc(CC(=O)O)ccc1C
InChIInChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-22(20-24(25)26)18-17-21(23)2/h17-19H,3-16,20H2,1-2H3,(H,25,26)
InChIKeyIXOSKIKDAYDHOJ-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.26
Rot. Bonds16

About 2-(4-methyl-3-pentadecylphenyl)acetic acid

2-(4-methyl-3-pentadecylphenyl)acetic acid (PubChem CID 141255119) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-(4-methyl-3-pentadecylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-3-pentadecylphenyl)acetic acid
PubChem CID141255119
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-(4-methyl-3-pentadecylphenyl)acetic acid
SMILESCCCCCCCCCCCCCCCc1cc(CC(=O)O)ccc1C
InChIInChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-22(20-24(25)26)18-17-21(23)2/h17-19H,3-16,20H2,1-2H3,(H,25,26)
InChIKeyIXOSKIKDAYDHOJ-UHFFFAOYSA-N
XLogP7.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.26
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

4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2-(3-octadecyl-4-propan-2-ylphenyl)acetic acid
CID 141255140
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-(3-amino-4-pentylphenyl)acetic acid
CID 123348759
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2-[4-(carboxymethyl)-2-hexylphenyl]benzoic acid
CID 67939867
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
4-(2-bromoethyl)-1-methyl-2-pentylbenzene
CID 23435940
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
2-(3,5-dipentylphenyl)acetic acid
CID 78319081
2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
CID 173426031

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pentadecylphenyl)acetic acid?
The IUPAC name of 2-(4-methyl-3-pentadecylphenyl)acetic acid (CID 141255119) is 2-(4-methyl-3-pentadecylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methyl-3-pentadecylphenyl)acetic acid?
The canonical SMILES for 2-(4-methyl-3-pentadecylphenyl)acetic acid is CCCCCCCCCCCCCCCc1cc(CC(=O)O)ccc1C.
What is the InChIKey of 2-(4-methyl-3-pentadecylphenyl)acetic acid?
The InChIKey is IXOSKIKDAYDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-22(20-24(25)26)18-17-21(23)2/h17-19H,3-16,20H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-methyl-3-pentadecylphenyl)acetic acid?
2-(4-methyl-3-pentadecylphenyl)acetic acid has a molecular weight of 360.58 g/mol, XLogP of 7.26, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pentadecylphenyl)acetic acid is sourced from PubChem (CID 141255119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).