1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol

C15H13BrClFO2 — CID 115983371

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)13(19)8-10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyCGWNTMNMJRBHTO-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol

1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 115983371) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID115983371
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)13(19)8-10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyCGWNTMNMJRBHTO-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-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 115983371) is 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is COc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is CGWNTMNMJRBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)13(19)8-10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)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-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 115983371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).