3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol

C16H16F2O2 — CID 116756862

IUPAC3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16,19H,10H2,1H3
InChIKeyWUEKBODXDVSTOK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.26
Rot. Bonds5

About 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol

3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116756862) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116756862
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16,19H,10H2,1H3
InChIKeyWUEKBODXDVSTOK-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
CID 103049191
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-methoxy-1-phenylbutan-2-ol
CID 116756893
1-(2,5-difluorophenyl)-2-methoxy-2-phenylethanamine
CID 116772931
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol (CID 116756862) is 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is WUEKBODXDVSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(17)7-8-14(12)18/h2-9,15-16,19H,10H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol?
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116756862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).