4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid

C14H16O3 — CID 82289572

IUPAC4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
SMILESCOc1cccc(C2CC=C(C(=O)O)CC2)c1
InChIInChI=1S/C14H16O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H,15,16)
InChIKeyQKFNNHAIUFAROK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.97
Rot. Bonds3

About 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid

4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid (PubChem CID 82289572) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
PubChem CID82289572
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
SMILESCOc1cccc(C2CC=C(C(=O)O)CC2)c1
InChIInChI=1S/C14H16O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H,15,16)
InChIKeyQKFNNHAIUFAROK-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70274289
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2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
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[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
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carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
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CID 96530313

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid (CID 82289572) is 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid is COc1cccc(C2CC=C(C(=O)O)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid?
The InChIKey is QKFNNHAIUFAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid?
4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid is sourced from PubChem (CID 82289572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).