1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol

C13H16BrFO — CID 65154192

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFO/c1-9-3-2-6-13(9,16)8-10-7-11(14)4-5-12(10)15/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeyAQULXQVQKZHRFX-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.68
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol

1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol (PubChem CID 65154192) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
PubChem CID65154192
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFO/c1-9-3-2-6-13(9,16)8-10-7-11(14)4-5-12(10)15/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeyAQULXQVQKZHRFX-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65148904
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol (CID 65154192) is 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol is CC1CCCC1(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is AQULXQVQKZHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-9-3-2-6-13(9,16)8-10-7-11(14)4-5-12(10)15/h4-5,7,9,16H,2-3,6,8H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 65154192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).