1-(3-bromo-5-methylphenyl)cyclopentan-1-ol

C12H15BrO — CID 163230979

IUPAC1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
SMILESCc1cc(Br)cc(C2(O)CCCC2)c1
InChIInChI=1S/C12H15BrO/c1-9-6-10(8-11(13)7-9)12(14)4-2-3-5-12/h6-8,14H,2-5H2,1H3
InChIKeyNQSRIFFPOFXZRS-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.52
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol

1-(3-bromo-5-methylphenyl)cyclopentan-1-ol (PubChem CID 163230979) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
PubChem CID163230979
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
SMILESCc1cc(Br)cc(C2(O)CCCC2)c1
InChIInChI=1S/C12H15BrO/c1-9-6-10(8-11(13)7-9)12(14)4-2-3-5-12/h6-8,14H,2-5H2,1H3
InChIKeyNQSRIFFPOFXZRS-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
CID 129285142
4-(3,5-dimethylphenyl)piperidin-4-ol
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1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol
CID 107957828
1-(5-bromo-3-pyridinyl)cyclohexan-1-ol
CID 121282621
1-(4-sulfanylphenyl)cyclopentan-1-ol
CID 123677062
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-(3,4-dimethylphenyl)cyclobutan-1-ol
CID 79081030
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
ethane;1-phenylcyclohexan-1-ol
CID 144640846
1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 171367158
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol?
The IUPAC name of 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol (CID 163230979) is 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol is Cc1cc(Br)cc(C2(O)CCCC2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol?
The InChIKey is NQSRIFFPOFXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9-6-10(8-11(13)7-9)12(14)4-2-3-5-12/h6-8,14H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol?
1-(3-bromo-5-methylphenyl)cyclopentan-1-ol has a molecular weight of 255.15 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 163230979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).