2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol

C12H17BrO3 — CID 117466975

IUPAC2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
SMILESCOc1c(Br)cc(C)c(C(C)(C)O)c1OC
InChIInChI=1S/C12H17BrO3/c1-7-6-8(13)10(15-4)11(16-5)9(7)12(2,3)14/h6,14H,1-5H3
InChIKeyYNBJDVHXZVXYKS-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol

2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol (PubChem CID 117466975) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
PubChem CID117466975
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
SMILESCOc1c(Br)cc(C)c(C(C)(C)O)c1OC
InChIInChI=1S/C12H17BrO3/c1-7-6-8(13)10(15-4)11(16-5)9(7)12(2,3)14/h6,14H,1-5H3
InChIKeyYNBJDVHXZVXYKS-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
CID 117329674
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol (CID 117466975) is 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol is COc1c(Br)cc(C)c(C(C)(C)O)c1OC.
What is the InChIKey of 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol?
The InChIKey is YNBJDVHXZVXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-7-6-8(13)10(15-4)11(16-5)9(7)12(2,3)14/h6,14H,1-5H3.
What are the key properties of 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol?
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol has a molecular weight of 289.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol is sourced from PubChem (CID 117466975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).