1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol

C15H13BrClFO2 — CID 82808045

IUPAC1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C15H13BrClFO2/c1-15(19,10-7-6-9(16)8-12(10)17)11-4-3-5-13(20-2)14(11)18/h3-8,19H,1-2H3
InChIKeyWFVFTHJEGIMMRT-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol

1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 82808045) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID82808045
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C15H13BrClFO2/c1-15(19,10-7-6-9(16)8-12(10)17)11-4-3-5-13(20-2)14(11)18/h3-8,19H,1-2H3
InChIKeyWFVFTHJEGIMMRT-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol
CID 82780069
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 106761513
1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol (CID 82808045) is 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)c2ccc(Br)cc2Cl)c1F.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is WFVFTHJEGIMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-15(19,10-7-6-9(16)8-12(10)17)11-4-3-5-13(20-2)14(11)18/h3-8,19H,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 82808045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).