1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol

C16H16BrClO — CID 114980844

IUPAC1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H16BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)13-7-8-14(17)15(18)10-13/h3-8,10,16,19H,2,9H2,1H3
InChIKeyKWWDVKPUILQOFL-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol (PubChem CID 114980844) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
PubChem CID114980844
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H16BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)13-7-8-14(17)15(18)10-13/h3-8,10,16,19H,2,9H2,1H3
InChIKeyKWWDVKPUILQOFL-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
CID 115834495
1-(4-bromo-3-chlorophenyl)-3-methylbut-3-en-1-ol
CID 115816867
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol (CID 114980844) is 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol?
The InChIKey is KWWDVKPUILQOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-2-11-3-5-12(6-4-11)9-16(19)13-7-8-14(17)15(18)10-13/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol has a molecular weight of 339.66 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 114980844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).