1-(2,5-difluorophenyl)-3-phenylbutan-2-ol

C16H16F2O — CID 63901819

IUPAC1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(17)7-8-15(13)18/h2-9,11,16,19H,10H2,1H3
InChIKeyQJDWHASTHWQGEN-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol

1-(2,5-difluorophenyl)-3-phenylbutan-2-ol (PubChem CID 63901819) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
PubChem CID63901819
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(17)7-8-15(13)18/h2-9,11,16,19H,10H2,1H3
InChIKeyQJDWHASTHWQGEN-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol (CID 63901819) is 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol?
The InChIKey is QJDWHASTHWQGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(17)7-8-15(13)18/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol?
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 63901819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).