2-(3,5-dipentylphenyl)acetic acid

C18H28O2 — CID 78319081

IUPAC2-(3,5-dipentylphenyl)acetic acid
SMILESCCCCCc1cc(CCCCC)cc(CC(=O)O)c1
InChIInChI=1S/C18H28O2/c1-3-5-7-9-15-11-16(10-8-6-4-2)13-17(12-15)14-18(19)20/h11-13H,3-10,14H2,1-2H3,(H,19,20)
InChIKeyHFEDEAWUDQDOSS-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.78
Rot. Bonds10

About 2-(3,5-dipentylphenyl)acetic acid

2-(3,5-dipentylphenyl)acetic acid (PubChem CID 78319081) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,5-dipentylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dipentylphenyl)acetic acid
PubChem CID78319081
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(3,5-dipentylphenyl)acetic acid
SMILESCCCCCc1cc(CCCCC)cc(CC(=O)O)c1
InChIInChI=1S/C18H28O2/c1-3-5-7-9-15-11-16(10-8-6-4-2)13-17(12-15)14-18(19)20/h11-13H,3-10,14H2,1-2H3,(H,19,20)
InChIKeyHFEDEAWUDQDOSS-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.78
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

2-[3-[(E)-pent-1-enyl]-5-pentylphenyl]acetic acid
CID 153458828
2-(3,5-dihexylphenyl)acetate
CID 140700736
2-(3-butyl-5-methylsulfonylphenyl)acetic acid
CID 143144597
3,5-dihexylbenzoic acid
CID 141246135
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2-fluoro-3,5-dipentylbenzoic acid
CID 130263525
hydrogen carbonate;tris(2,4,6-trioctylphenyl)sulfanium
CID 160907403
2-(3-amino-4-pentylphenyl)acetic acid
CID 123348759
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2,6-diethyl-4-pentylphenol
CID 66879488
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dipentylphenyl)acetic acid?
The IUPAC name of 2-(3,5-dipentylphenyl)acetic acid (CID 78319081) is 2-(3,5-dipentylphenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dipentylphenyl)acetic acid?
The canonical SMILES for 2-(3,5-dipentylphenyl)acetic acid is CCCCCc1cc(CCCCC)cc(CC(=O)O)c1.
What is the InChIKey of 2-(3,5-dipentylphenyl)acetic acid?
The InChIKey is HFEDEAWUDQDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-5-7-9-15-11-16(10-8-6-4-2)13-17(12-15)14-18(19)20/h11-13H,3-10,14H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,5-dipentylphenyl)acetic acid?
2-(3,5-dipentylphenyl)acetic acid has a molecular weight of 276.42 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dipentylphenyl)acetic acid is sourced from PubChem (CID 78319081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).