2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol

C10H12BrFO2 — CID 117411724

IUPAC2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)CO)c(F)c1Br
InChIInChI=1S/C10H12BrFO2/c1-6(5-13)7-3-4-8(14-2)9(11)10(7)12/h3-4,6,13H,5H2,1-2H3
InChIKeyHWIWRNVEVUANSH-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol

2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 117411724) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID117411724
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)CO)c(F)c1Br
InChIInChI=1S/C10H12BrFO2/c1-6(5-13)7-3-4-8(14-2)9(11)10(7)12/h3-4,6,13H,5H2,1-2H3
InChIKeyHWIWRNVEVUANSH-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117451005
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol (CID 117411724) is 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol is COc1ccc(C(C)CO)c(F)c1Br.
What is the InChIKey of 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is HWIWRNVEVUANSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6(5-13)7-3-4-8(14-2)9(11)10(7)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 263.11 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117411724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).