2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid

C17H24O2 — CID 82484792

IUPAC2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
SMILESCCC(C)c1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-12(2)13-8-10-15(11-9-13)16(17(18)19)14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3,(H,18,19)
InChIKeyWBFUJJUSTSXPDT-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid

2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid (PubChem CID 82484792) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
PubChem CID82484792
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
SMILESCCC(C)c1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-12(2)13-8-10-15(11-9-13)16(17(18)19)14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3,(H,18,19)
InChIKeyWBFUJJUSTSXPDT-UHFFFAOYSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
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4-butan-2-yl-N-cyclopentylaniline
CID 43681058
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
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CID 112516776
3-(4-butan-2-ylbenzoyl)cyclopentane-1-carboxylic acid
CID 103551694
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid
CID 130407751
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
CID 82502054
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
CID 58136304

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid?
The IUPAC name of 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid (CID 82484792) is 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid is CCC(C)c1ccc(C(C(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid?
The InChIKey is WBFUJJUSTSXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-12(2)13-8-10-15(11-9-13)16(17(18)19)14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid?
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid has a molecular weight of 260.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid is sourced from PubChem (CID 82484792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).