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

C16H22O2 — CID 117368448

IUPAC1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)16(15(17)18)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyKMVWCWWYXPECKF-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.10
Rot. Bonds3

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

1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117368448) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117368448
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)16(15(17)18)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyKMVWCWWYXPECKF-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771
3-(2-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 167456442
3-(2-propan-2-ylphenyl)azetidine-3-carboxylic acid;hydrochloride
CID 146265887
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 167456229
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone
CID 22019782

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (CID 117368448) is 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is CC(C)c1ccccc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is KMVWCWWYXPECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)16(15(17)18)10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 246.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117368448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).