2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid

C15H20O4 — CID 113361275

IUPAC2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(O)C2CCCC2C(=O)O)cc1C
InChIInChI=1S/C15H20O4/c1-9-8-10(6-7-13(9)19-2)14(16)11-4-3-5-12(11)15(17)18/h6-8,11-12,14,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyYFJXFPKRJWMYQF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds4

About 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid

2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113361275) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID113361275
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(O)C2CCCC2C(=O)O)cc1C
InChIInChI=1S/C15H20O4/c1-9-8-10(6-7-13(9)19-2)14(16)11-4-3-5-12(11)15(17)18/h6-8,11-12,14,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyYFJXFPKRJWMYQF-UHFFFAOYSA-N
XLogP2.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylic acid
CID 43131153
(2-ethylcyclohexyl)-(4-methoxy-3-methylphenyl)methanol
CID 63893975
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanol
CID 107181847
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid (CID 113361275) is 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid is COc1ccc(C(O)C2CCCC2C(=O)O)cc1C.
What is the InChIKey of 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YFJXFPKRJWMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-8-10(6-7-13(9)19-2)14(16)11-4-3-5-12(11)15(17)18/h6-8,11-12,14,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113361275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).