1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol

C15H13BrClFO2 — CID 106761585

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClFO2/c1-20-9-15(19,10-5-3-2-4-6-10)11-7-8-12(16)13(17)14(11)18/h2-8,19H,9H2,1H3
InChIKeyRKWUHPMCLSEVGZ-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol (PubChem CID 106761585) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
PubChem CID106761585
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClFO2/c1-20-9-15(19,10-5-3-2-4-6-10)11-7-8-12(16)13(17)14(11)18/h2-8,19H,9H2,1H3
InChIKeyRKWUHPMCLSEVGZ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
CID 103465435
2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 106761227
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
CID 103465697
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol (CID 106761585) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol is COCC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol?
The InChIKey is RKWUHPMCLSEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-9-15(19,10-5-3-2-4-6-10)11-7-8-12(16)13(17)14(11)18/h2-8,19H,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol has a molecular weight of 359.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol is sourced from PubChem (CID 106761585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).