1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol

C14H11BrCl2O — CID 55187137

IUPAC1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2O/c1-14(18,9-2-5-11(15)6-3-9)10-4-7-12(16)13(17)8-10/h2-8,18H,1H3
InChIKeyCRSJRHAAQNDUMJ-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.01
Rot. Bonds2

About 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol

1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 55187137) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
PubChem CID55187137
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2O/c1-14(18,9-2-5-11(15)6-3-9)10-4-7-12(16)13(17)8-10/h2-8,18H,1H3
InChIKeyCRSJRHAAQNDUMJ-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol (CID 55187137) is 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol is CC(O)(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is CRSJRHAAQNDUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c1-14(18,9-2-5-11(15)6-3-9)10-4-7-12(16)13(17)8-10/h2-8,18H,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol?
1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 346.05 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 55187137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).