1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid

C17H24O2 — CID 117405451

IUPAC1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(C)c(C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-4-14-10-12(2)13(3)15(11-14)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeySXFWNSXCKLPBOA-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.15
Rot. Bonds3

About 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid

1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117405451) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117405451
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(C)c(C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-4-14-10-12(2)13(3)15(11-14)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeySXFWNSXCKLPBOA-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117420839
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
CID 117310098
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid (CID 117405451) is 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid is CCc1cc(C)c(C)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is SXFWNSXCKLPBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-14-10-12(2)13(3)15(11-14)17(16(18)19)8-6-5-7-9-17/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).