1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C16H13F3O2 — CID 134109996

IUPAC1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H13F3O2/c17-16(18,19)12-8-5-11(6-9-12)7-10-15(21)13-3-1-2-4-14(13)20/h1-6,8-9,20H,7,10H2
InChIKeyWMSIOAOVCZKJQU-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 134109996) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID134109996
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H13F3O2/c17-16(18,19)12-8-5-11(6-9-12)7-10-15(21)13-3-1-2-4-14(13)20/h1-6,8-9,20H,7,10H2
InChIKeyWMSIOAOVCZKJQU-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220969
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
3-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 24725996
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 134109996) is 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is WMSIOAOVCZKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)12-8-5-11(6-9-12)7-10-15(21)13-3-1-2-4-14(13)20/h1-6,8-9,20H,7,10H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 294.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 134109996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).