1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol

C11H14BrFO3 — CID 117473006

IUPAC1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
SMILESCOc1c(Br)cc(F)c(CC(C)O)c1OC
InChIInChI=1S/C11H14BrFO3/c1-6(14)4-7-9(13)5-8(12)11(16-3)10(7)15-2/h5-6,14H,4H2,1-3H3
InChIKeyWUEIARALQSTSQO-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol

1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol (PubChem CID 117473006) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
PubChem CID117473006
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
SMILESCOc1c(Br)cc(F)c(CC(C)O)c1OC
InChIInChI=1S/C11H14BrFO3/c1-6(14)4-7-9(13)5-8(12)11(16-3)10(7)15-2/h5-6,14H,4H2,1-3H3
InChIKeyWUEIARALQSTSQO-UHFFFAOYSA-N
XLogP2.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
3-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117490391
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117488230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol (CID 117473006) is 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol is COc1c(Br)cc(F)c(CC(C)O)c1OC.
What is the InChIKey of 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol?
The InChIKey is WUEIARALQSTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-6(14)4-7-9(13)5-8(12)11(16-3)10(7)15-2/h5-6,14H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol?
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol has a molecular weight of 293.13 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).