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

C16H21ClO2 — CID 117450845

IUPAC1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(Cl)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H21ClO2/c1-11(2)13-7-6-12(17)10-14(13)16(15(18)19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyZLKAICQRUCCPOH-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.75
Rot. Bonds3

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

1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117450845) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117450845
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(Cl)cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H21ClO2/c1-11(2)13-7-6-12(17)10-14(13)16(15(18)19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyZLKAICQRUCCPOH-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid (CID 117450845) is 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is CC(C)c1ccc(Cl)cc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZLKAICQRUCCPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-11(2)13-7-6-12(17)10-14(13)16(15(18)19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid?
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 280.80 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117450845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).