2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol

C12H16BrFO2 — CID 117470259

IUPAC2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)cc(F)c(Br)c1C(C)(C)CO
InChIInChI=1S/C12H16BrFO2/c1-7-5-8(14)10(13)9(11(7)16-4)12(2,3)6-15/h5,15H,6H2,1-4H3
InChIKeyXOPDOORFVAURNI-UHFFFAOYSA-N
MW291.16 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol

2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117470259) has the molecular formula C12H16BrFO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
PubChem CID117470259
Molecular FormulaC12H16BrFO2
Molecular Weight291.16 g/mol
Exact Mass290.03
IUPAC Name2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)cc(F)c(Br)c1C(C)(C)CO
InChIInChI=1S/C12H16BrFO2/c1-7-5-8(14)10(13)9(11(7)16-4)12(2,3)6-15/h5,15H,6H2,1-4H3
InChIKeyXOPDOORFVAURNI-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol (CID 117470259) is 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol is COc1c(C)cc(F)c(Br)c1C(C)(C)CO.
What is the InChIKey of 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is XOPDOORFVAURNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2/c1-7-5-8(14)10(13)9(11(7)16-4)12(2,3)6-15/h5,15H,6H2,1-4H3.
What are the key properties of 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 291.16 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117470259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).