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

C15H13Br2ClO2 — CID 66157869

IUPAC1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C15H13Br2ClO2/c1-20-11-3-5-13(16)9(6-11)7-15(19)12-8-10(18)2-4-14(12)17/h2-6,8,15,19H,7H2,1H3
InChIKeyVPEJKURPOUIHKU-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.15
Rot. Bonds4

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

1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol (PubChem CID 66157869) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
PubChem CID66157869
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C15H13Br2ClO2/c1-20-11-3-5-13(16)9(6-11)7-15(19)12-8-10(18)2-4-14(12)17/h2-6,8,15,19H,7H2,1H3
InChIKeyVPEJKURPOUIHKU-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

2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084143
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol (CID 66157869) is 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol is COc1ccc(Br)c(CC(O)c2cc(Cl)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The InChIKey is VPEJKURPOUIHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-20-11-3-5-13(16)9(6-11)7-15(19)12-8-10(18)2-4-14(12)17/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol?
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-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-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol is sourced from PubChem (CID 66157869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).