2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid

C16H22O2 — CID 82295362

IUPAC2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
SMILESCC(C)c1ccc(C2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22O2/c1-11(2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-16(17)18/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyQUXCSXRTVSGEDI-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.17
Rot. Bonds4

About 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid

2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid (PubChem CID 82295362) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
PubChem CID82295362
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
SMILESCC(C)c1ccc(C2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22O2/c1-11(2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-16(17)18/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyQUXCSXRTVSGEDI-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
CID 82303682
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
CID 64507146
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid (CID 82295362) is 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid is CC(C)c1ccc(C2CCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid?
The InChIKey is QUXCSXRTVSGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-16(17)18/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid?
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid has a molecular weight of 246.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 82295362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).