1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid

C13H14O3 — CID 65353654

IUPAC1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC=CC2)c1
InChIInChI=1S/C13H14O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyVCVJICDTIJSZRW-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.37
Rot. Bonds3

About 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid

1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid (PubChem CID 65353654) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
PubChem CID65353654
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC=CC2)c1
InChIInChI=1S/C13H14O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyVCVJICDTIJSZRW-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353598
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
CID 79006712
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid (CID 65353654) is 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid is COc1cccc(C2(C(=O)O)CC=CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid?
The InChIKey is VCVJICDTIJSZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid?
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 65353654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).