2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol

C12H16BrFO3 — CID 117492174

IUPAC2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)c(F)c(Br)c1OC
InChIInChI=1S/C12H16BrFO3/c1-12(2,6-15)7-5-8(16-3)11(17-4)9(13)10(7)14/h5,15H,6H2,1-4H3
InChIKeyVHRHIUCTGBYFMG-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.88
Rot. Bonds4

About 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117492174) has the molecular formula C12H16BrFO3 and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
PubChem CID117492174
Molecular FormulaC12H16BrFO3
Molecular Weight307.16 g/mol
Exact Mass306.03
IUPAC Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)c(F)c(Br)c1OC
InChIInChI=1S/C12H16BrFO3/c1-12(2,6-15)7-5-8(16-3)11(17-4)9(13)10(7)14/h5,15H,6H2,1-4H3
InChIKeyVHRHIUCTGBYFMG-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
CID 117439695

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol (CID 117492174) is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol is COc1cc(C(C)(C)CO)c(F)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is VHRHIUCTGBYFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO3/c1-12(2,6-15)7-5-8(16-3)11(17-4)9(13)10(7)14/h5,15H,6H2,1-4H3.
What are the key properties of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol?
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 307.16 g/mol, XLogP of 2.88, 4 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-4,5-dimethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117492174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).