4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid

C16H22O3 — CID 65393665

IUPAC4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(CCOc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-13-7-9-16(10-8-13,15(17)18)11-12-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,18)
InChIKeyVKDBQYVAFXFMQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.74
Rot. Bonds5

About 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid

4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 65393665) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
PubChem CID65393665
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(CCOc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-13-7-9-16(10-8-13,15(17)18)11-12-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,18)
InChIKeyVKDBQYVAFXFMQE-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
1-[2-(3-bromophenoxy)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402118
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82086841
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
CID 65030424
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid (CID 65393665) is 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid is CC1CCC(CCOc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is VKDBQYVAFXFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-13-7-9-16(10-8-13,15(17)18)11-12-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,18).
What are the key properties of 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid?
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65393665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).