1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol

C15H14ClFO2 — CID 82771079

IUPAC1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFO2/c1-15(18,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)19-2/h3-9,18H,1-2H3
InChIKeyJLBXWNCRVZGOEH-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol

1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol (PubChem CID 82771079) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
PubChem CID82771079
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFO2/c1-15(18,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)19-2/h3-9,18H,1-2H3
InChIKeyJLBXWNCRVZGOEH-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
1-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 82770802
1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 62788121
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
1-(3-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 62787274
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol (CID 82771079) is 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol is COc1ccc(F)cc1C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is JLBXWNCRVZGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-15(18,10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)19-2/h3-9,18H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 280.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 82771079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).