2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol

C17H19BrO3 — CID 115779535

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)ccc2OC)cc1Br
InChIInChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)13(8-11)15(19)10-12-5-7-17(21-3)14(18)9-12/h4-9,15,19H,10H2,1-3H3
InChIKeyWLGMHVCPHHIMNR-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 115779535) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID115779535
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)ccc2OC)cc1Br
InChIInChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)13(8-11)15(19)10-12-5-7-17(21-3)14(18)9-12/h4-9,15,19H,10H2,1-3H3
InChIKeyWLGMHVCPHHIMNR-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

2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol (CID 115779535) is 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(CC(O)c2cc(C)ccc2OC)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is WLGMHVCPHHIMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)13(8-11)15(19)10-12-5-7-17(21-3)14(18)9-12/h4-9,15,19H,10H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-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 2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 115779535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).