1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol

C15H14Br2O2 — CID 115370074

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-19-15-9-12(17)5-6-13(15)14(18)8-10-3-2-4-11(16)7-10/h2-7,9,14,18H,8H2,1H3
InChIKeyBPCSHIHCAHLCKQ-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol (PubChem CID 115370074) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
PubChem CID115370074
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-19-15-9-12(17)5-6-13(15)14(18)8-10-3-2-4-11(16)7-10/h2-7,9,14,18H,8H2,1H3
InChIKeyBPCSHIHCAHLCKQ-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol (CID 115370074) is 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol?
The InChIKey is BPCSHIHCAHLCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-19-15-9-12(17)5-6-13(15)14(18)8-10-3-2-4-11(16)7-10/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol has a molecular weight of 386.08 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol is sourced from PubChem (CID 115370074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).