1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid

C13H15BrO3 — CID 117481833

IUPAC1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(O)cc(C2(C(=O)O)CCCC2)cc1Br
InChIInChI=1S/C13H15BrO3/c1-8-10(14)6-9(7-11(8)15)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17)
InChIKeyODYAEUSBGNDGKF-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.36
Rot. Bonds2

About 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid

1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117481833) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117481833
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(O)cc(C2(C(=O)O)CCCC2)cc1Br
InChIInChI=1S/C13H15BrO3/c1-8-10(14)6-9(7-11(8)15)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17)
InChIKeyODYAEUSBGNDGKF-UHFFFAOYSA-N
XLogP3.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84813246
1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
CID 117114182

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid (CID 117481833) is 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid is Cc1c(O)cc(C2(C(=O)O)CCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is ODYAEUSBGNDGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-8-10(14)6-9(7-11(8)15)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid?
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 299.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117481833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).