2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol

C17H19FO2 — CID 82769735

IUPAC2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19FO2/c1-3-17(19,12-13-7-5-4-6-8-13)15-11-14(18)9-10-16(15)20-2/h4-11,19H,3,12H2,1-2H3
InChIKeyPHCWJXLIFJGNIT-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.67
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol

2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol (PubChem CID 82769735) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
PubChem CID82769735
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19FO2/c1-3-17(19,12-13-7-5-4-6-8-13)15-11-14(18)9-10-16(15)20-2/h4-11,19H,3,12H2,1-2H3
InChIKeyPHCWJXLIFJGNIT-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 82770802
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol (CID 82769735) is 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1cc(F)ccc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol?
The InChIKey is PHCWJXLIFJGNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-3-17(19,12-13-7-5-4-6-8-13)15-11-14(18)9-10-16(15)20-2/h4-11,19H,3,12H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol?
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol has a molecular weight of 274.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 82769735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).