1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid

C15H19ClO2 — CID 117420839

IUPAC1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19ClO2/c1-2-11-8-12(10-13(16)9-11)15(14(17)18)6-4-3-5-7-15/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyDYJREVHUVGJZCH-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.19
Rot. Bonds3

About 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid

1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117420839) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117420839
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19ClO2/c1-2-11-8-12(10-13(16)9-11)15(14(17)18)6-4-3-5-7-15/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyDYJREVHUVGJZCH-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(3-chloro-5-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117466460
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-chloro-3-ethyl-5-(1-isocyanatocyclopentyl)benzene
CID 117378046
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117454527
3-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 117050181
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid (CID 117420839) is 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid is CCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is DYJREVHUVGJZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-2-11-8-12(10-13(16)9-11)15(14(17)18)6-4-3-5-7-15/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid?
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 266.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117420839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).