1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

C17H24O3 — CID 117442725

IUPAC1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(C(C)C)ccc(C)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C17H24O3/c1-11(2)13-8-7-12(3)14(15(13)20-4)17(16(18)19)9-5-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyUTYMIBMRUALQGL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117442725) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117442725
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(C(C)C)ccc(C)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C17H24O3/c1-11(2)13-8-7-12(3)14(15(13)20-4)17(16(18)19)9-5-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyUTYMIBMRUALQGL-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-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-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117454530
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497851
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (CID 117442725) is 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is COc1c(C(C)C)ccc(C)c1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is UTYMIBMRUALQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11(2)13-8-7-12(3)14(15(13)20-4)17(16(18)19)9-5-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19).
What are the key properties of 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117442725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).