1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol

C15H13BrClFO — CID 106866248

IUPAC1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C15H13BrClFO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7H2,1H3
InChIKeyWQRJELGXJQKVAG-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol

1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol (PubChem CID 106866248) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
PubChem CID106866248
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C15H13BrClFO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7H2,1H3
InChIKeyWQRJELGXJQKVAG-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol (CID 106866248) is 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol is Cc1ccc(CC(O)c2cc(Br)ccc2F)c(Cl)c1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The InChIKey is WQRJELGXJQKVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106866248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).