1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol

C15H13BrClFO2 — CID 66425619

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-15-3-2-12(17)5-10(15)7-14(19)9-4-11(16)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3
InChIKeyDJAHFMXXYXMXAE-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol

1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 66425619) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID66425619
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-15-3-2-12(17)5-10(15)7-14(19)9-4-11(16)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3
InChIKeyDJAHFMXXYXMXAE-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
[2-(5-chloro-2-methoxyphenyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979013
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (CID 66425619) is 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is DJAHFMXXYXMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-15-3-2-12(17)5-10(15)7-14(19)9-4-11(16)8-13(18)6-9/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 66425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).