1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol

C15H13Br2ClO2 — CID 107947313

IUPAC1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H13Br2ClO2/c1-20-15-3-2-11(16)5-10(15)7-14(19)9-4-12(17)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3
InChIKeyGOVIIHSEBZDBBS-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.15
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol (PubChem CID 107947313) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
PubChem CID107947313
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H13Br2ClO2/c1-20-15-3-2-11(16)5-10(15)7-14(19)9-4-12(17)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3
InChIKeyGOVIIHSEBZDBBS-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol (CID 107947313) is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol is COc1ccc(Br)cc1CC(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The InChIKey is GOVIIHSEBZDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-20-15-3-2-11(16)5-10(15)7-14(19)9-4-12(17)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol has a molecular weight of 420.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol is sourced from PubChem (CID 107947313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).