1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol

C17H19BrO3 — CID 62389072

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H19BrO3/c1-11-5-4-6-12(7-11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15,19H,8H2,1-3H3
InChIKeyXYVOINHKNJXCEK-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol

1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol (PubChem CID 62389072) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
PubChem CID62389072
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H19BrO3/c1-11-5-4-6-12(7-11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15,19H,8H2,1-3H3
InChIKeyXYVOINHKNJXCEK-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 103396109
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 65146026
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750
2-(2-amino-4-methylphenoxy)-1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 46307322
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-[2-(2-methoxyethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 104659510

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol (CID 62389072) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol is COc1cc(Br)c(C(O)Cc2cccc(C)c2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol?
The InChIKey is XYVOINHKNJXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-5-4-6-12(7-11)8-15(19)13-9-16(20-2)17(21-3)10-14(13)18/h4-7,9-10,15,19H,8H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 62389072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).