2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol

C12H17BrO3 — CID 117467054

IUPAC2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(Br)c(C(C)CO)c(C)c1OC
InChIInChI=1S/C12H17BrO3/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7,14H,6H2,1-4H3
InChIKeyIXNXVKGPAXLPPK-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.87
Rot. Bonds4

About 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol (PubChem CID 117467054) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
PubChem CID117467054
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(Br)c(C(C)CO)c(C)c1OC
InChIInChI=1S/C12H17BrO3/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7,14H,6H2,1-4H3
InChIKeyIXNXVKGPAXLPPK-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117401010
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
CID 59135186
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol (CID 117467054) is 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol is COc1cc(Br)c(C(C)CO)c(C)c1OC.
What is the InChIKey of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol?
The InChIKey is IXNXVKGPAXLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7,14H,6H2,1-4H3.
What are the key properties of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol?
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 117467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).