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

C16H16Br2O2 — CID 115779364

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Br)ccc2C)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-10-3-5-12(17)9-13(10)15(19)8-11-4-6-16(20-2)14(18)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyLOCOVCQRKZCXCI-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.80
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol (PubChem CID 115779364) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
PubChem CID115779364
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Br)ccc2C)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-10-3-5-12(17)9-13(10)15(19)8-11-4-6-16(20-2)14(18)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyLOCOVCQRKZCXCI-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
[1-(5-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105290245

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol (CID 115779364) is 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol is COc1ccc(CC(O)c2cc(Br)ccc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The InChIKey is LOCOVCQRKZCXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10-3-5-12(17)9-13(10)15(19)8-11-4-6-16(20-2)14(18)7-11/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol has a molecular weight of 400.11 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol is sourced from PubChem (CID 115779364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).