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

C15H13BrClFO2 — CID 115779483

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyBDUPIROKTUGCQP-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 115779483) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
PubChem CID115779483
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(F)c2Cl)cc1Br
InChIInChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyBDUPIROKTUGCQP-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-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol (CID 115779483) is 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol is COc1ccc(CC(O)c2cccc(F)c2Cl)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is BDUPIROKTUGCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-14-6-5-9(7-11(14)16)8-13(19)10-3-2-4-12(18)15(10)17/h2-7,13,19H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(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 2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 115779483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).