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

C15H14BrFO2 — CID 63018074

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C15H14BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9,15,18H,8H2,1H3
InChIKeySVPXTNFGEHPLSN-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.87
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol (PubChem CID 63018074) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
PubChem CID63018074
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C15H14BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9,15,18H,8H2,1H3
InChIKeySVPXTNFGEHPLSN-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-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol (CID 63018074) is 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is SVPXTNFGEHPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol?
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)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-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 63018074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).