2-cyclopentylterephthalic acid

C13H14O4 — CID 174865784

IUPAC2-cyclopentylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(C2CCCC2)c1
InChIInChI=1S/C13H14O4/c14-12(15)9-5-6-10(13(16)17)11(7-9)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyWPYWYWWNEQNTFW-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.74
Rot. Bonds3

About 2-cyclopentylterephthalic acid

2-cyclopentylterephthalic acid (PubChem CID 174865784) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-cyclopentylterephthalic acid.

Molecular Properties

Compound Name2-cyclopentylterephthalic acid
PubChem CID174865784
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-cyclopentylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(C2CCCC2)c1
InChIInChI=1S/C13H14O4/c14-12(15)9-5-6-10(13(16)17)11(7-9)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyWPYWYWWNEQNTFW-UHFFFAOYSA-N
XLogP2.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19884474
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
4-(cyclopentylmethyl)benzene-1,3-dicarboxylic acid
CID 174778567
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
4-(cyclohexylmethyl)benzene-1,3-dicarboxylic acid
CID 174566304
3-cyclopropyl-4-(methylamino)benzoic acid
CID 176970275
2-(1,3-dimethyl-2H-imidazol-2-yl)terephthalic acid
CID 68744850
4-acetamido-3-cyclopropylbenzoic acid
CID 167726350
3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride
CID 70240668
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylterephthalic acid?
The IUPAC name of 2-cyclopentylterephthalic acid (CID 174865784) is 2-cyclopentylterephthalic acid.
What is the SMILES notation for 2-cyclopentylterephthalic acid?
The canonical SMILES for 2-cyclopentylterephthalic acid is O=C(O)c1ccc(C(=O)O)c(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentylterephthalic acid?
The InChIKey is WPYWYWWNEQNTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-12(15)9-5-6-10(13(16)17)11(7-9)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopentylterephthalic acid?
2-cyclopentylterephthalic acid has a molecular weight of 234.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylterephthalic acid is sourced from PubChem (CID 174865784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).