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

C15H14BrFO2 — CID 61100130

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-19-15-7-6-11(8-12(15)16)14(18)9-10-4-2-3-5-13(10)17/h2-8,14,18H,9H2,1H3
InChIKeyZHJIYZRPGGZYOB-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.87
Rot. Bonds4

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

1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol (PubChem CID 61100130) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
PubChem CID61100130
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-19-15-7-6-11(8-12(15)16)14(18)9-10-4-2-3-5-13(10)17/h2-8,14,18H,9H2,1H3
InChIKeyZHJIYZRPGGZYOB-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43230865
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(3-bromo-4-methoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515338

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol (CID 61100130) is 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol is COc1ccc(C(O)Cc2ccccc2F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol?
The InChIKey is ZHJIYZRPGGZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-19-15-7-6-11(8-12(15)16)14(18)9-10-4-2-3-5-13(10)17/h2-8,14,18H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol?
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol has a molecular weight of 325.18 g/mol, XLogP of 3.87, 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-fluorophenyl)ethanol is sourced from PubChem (CID 61100130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).