1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

C18H26O2 — CID 117438769

IUPAC1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H26O2/c1-4-14-8-9-15(13(2)3)16(12-14)18(17(19)20)10-6-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVDRLCCONCMNWTC-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.66
Rot. Bonds4

About 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117438769) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117438769
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H26O2/c1-4-14-8-9-15(13(2)3)16(12-14)18(17(19)20)10-6-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVDRLCCONCMNWTC-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (CID 117438769) is 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is CCc1ccc(C(C)C)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is VDRLCCONCMNWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-14-8-9-15(13(2)3)16(12-14)18(17(19)20)10-6-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117438769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).