3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol

C10H12BrFO — CID 117369472

IUPAC3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(Br)cc(CCCO)c1F
InChIInChI=1S/C10H12BrFO/c1-7-5-9(11)6-8(10(7)12)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyDBVYOMHOQMLIKY-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.82
Rot. Bonds3

About 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol

3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 117369472) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
PubChem CID117369472
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(Br)cc(CCCO)c1F
InChIInChI=1S/C10H12BrFO/c1-7-5-9(11)6-8(10(7)12)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyDBVYOMHOQMLIKY-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
CID 117406540
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
CID 130140647
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 162422353
3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
CID 117311078
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
CID 117288127
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol (CID 117369472) is 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(Br)cc(CCCO)c1F.
What is the InChIKey of 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is DBVYOMHOQMLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-7-5-9(11)6-8(10(7)12)3-2-4-13/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol?
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 247.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 117369472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).