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

C17H19BrO3 — CID 63894596

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)12(8-11)9-15(19)14-10-13(18)5-7-17(14)21-3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyNMNJEWLDURCEIZ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds5

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

1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 63894596) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID63894596
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)12(8-11)9-15(19)14-10-13(18)5-7-17(14)21-3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyNMNJEWLDURCEIZ-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

1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81320149

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 63894596) is 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is NMNJEWLDURCEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-4-6-16(20-2)12(8-11)9-15(19)14-10-13(18)5-7-17(14)21-3/h4-8,10,15,19H,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(5-bromo-2-methoxyphenyl)-2-(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 1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 63894596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).