1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid

C17H24O2 — CID 117405456

IUPAC1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C2(C(=O)O)CCCCC2)cc1CC
InChIInChI=1S/C17H24O2/c1-3-13-8-9-15(12-14(13)4-2)17(16(18)19)10-6-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeyVOAQUFIQUMISJJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.10
Rot. Bonds4

About 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid

1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117405456) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117405456
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C2(C(=O)O)CCCCC2)cc1CC
InChIInChI=1S/C17H24O2/c1-3-13-8-9-15(12-14(13)4-2)17(16(18)19)10-6-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeyVOAQUFIQUMISJJ-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117420839
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid (CID 117405456) is 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid is CCc1ccc(C2(C(=O)O)CCCCC2)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is VOAQUFIQUMISJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-13-8-9-15(12-14(13)4-2)17(16(18)19)10-6-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid?
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117405456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).