2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol

C11H14BrFO3 — CID 117473013

IUPAC2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(Br)c(F)c(C(C)(C)O)c1OC
InChIInChI=1S/C11H14BrFO3/c1-11(2,14)8-9(13)6(12)5-7(15-3)10(8)16-4/h5,14H,1-4H3
InChIKeyZYUSDVRTUQSDMH-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol

2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol (PubChem CID 117473013) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
PubChem CID117473013
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(Br)c(F)c(C(C)(C)O)c1OC
InChIInChI=1S/C11H14BrFO3/c1-11(2,14)8-9(13)6(12)5-7(15-3)10(8)16-4/h5,14H,1-4H3
InChIKeyZYUSDVRTUQSDMH-UHFFFAOYSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
CID 117113950
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
CID 59135186

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol (CID 117473013) is 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol is COc1cc(Br)c(F)c(C(C)(C)O)c1OC.
What is the InChIKey of 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol?
The InChIKey is ZYUSDVRTUQSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-11(2,14)8-9(13)6(12)5-7(15-3)10(8)16-4/h5,14H,1-4H3.
What are the key properties of 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol?
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol has a molecular weight of 293.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).