2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol

C11H15BrO3 — CID 116863258

IUPAC2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CBr)c(OC)c1
InChIInChI=1S/C11H15BrO3/c1-7-4-8(14-2)5-10(15-3)11(7)9(13)6-12/h4-5,9,13H,6H2,1-3H3
InChIKeyGCZJVBXFUULUJR-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.44
Rot. Bonds4

About 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol

2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol (PubChem CID 116863258) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
PubChem CID116863258
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CBr)c(OC)c1
InChIInChI=1S/C11H15BrO3/c1-7-4-8(14-2)5-10(15-3)11(7)9(13)6-12/h4-5,9,13H,6H2,1-3H3
InChIKeyGCZJVBXFUULUJR-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol?
The IUPAC name of 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol (CID 116863258) is 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol.
What is the SMILES notation for 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol?
The canonical SMILES for 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol is COc1cc(C)c(C(O)CBr)c(OC)c1.
What is the InChIKey of 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol?
The InChIKey is GCZJVBXFUULUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-7-4-8(14-2)5-10(15-3)11(7)9(13)6-12/h4-5,9,13H,6H2,1-3H3.
What are the key properties of 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol?
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol has a molecular weight of 275.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 116863258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).