1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid

C15H20O3 — CID 79679423

IUPAC1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1(C(=O)O)CCCC1C
InChIInChI=1S/C15H20O3/c1-10-6-7-13(18-3)12(9-10)15(14(16)17)8-4-5-11(15)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDKFQWYOAAYKSNH-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid

1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid (PubChem CID 79679423) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
PubChem CID79679423
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1(C(=O)O)CCCC1C
InChIInChI=1S/C15H20O3/c1-10-6-7-13(18-3)12(9-10)15(14(16)17)8-4-5-11(15)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDKFQWYOAAYKSNH-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679799
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid (CID 79679423) is 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid is COc1ccc(C)cc1C1(C(=O)O)CCCC1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is DKFQWYOAAYKSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-6-7-13(18-3)12(9-10)15(14(16)17)8-4-5-11(15)2/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid?
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79679423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).