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

C15H13BrClFO2 — CID 115831118

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13BrClFO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3
InChIKeyFIITYZDFIJWHKF-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

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

1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 115831118) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID115831118
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13BrClFO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3
InChIKeyFIITYZDFIJWHKF-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

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 115831118) is 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is FIITYZDFIJWHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(4-bromo-2-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-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 115831118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).