1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

C16H22O4 — CID 117446153

IUPAC1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(C)C)cc(C2(C(=O)O)CCCC2)c1O
InChIInChI=1S/C16H22O4/c1-10(2)11-8-12(14(17)13(9-11)20-3)16(15(18)19)6-4-5-7-16/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyYDTNDAGJZUUKAH-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117446153) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117446153
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C(C)C)cc(C2(C(=O)O)CCCC2)c1O
InChIInChI=1S/C16H22O4/c1-10(2)11-8-12(14(17)13(9-11)20-3)16(15(18)19)6-4-5-7-16/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyYDTNDAGJZUUKAH-UHFFFAOYSA-N
XLogP3.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117478165
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117495347
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (CID 117446153) is 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is COc1cc(C(C)C)cc(C2(C(=O)O)CCCC2)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is YDTNDAGJZUUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-10(2)11-8-12(14(17)13(9-11)20-3)16(15(18)19)6-4-5-7-16/h8-10,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117446153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).