3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one

C21H18O2 — CID 58190197

IUPAC3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCc1cccc(O)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-20-8-4-5-16(15-20)9-14-21(23)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-8,10-13,15,22H,9,14H2
InChIKeyRESBDMMNJUNJPB-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.87
Rot. Bonds5

About 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one

3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one (PubChem CID 58190197) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
PubChem CID58190197
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCc1cccc(O)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-20-8-4-5-16(15-20)9-14-21(23)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-8,10-13,15,22H,9,14H2
InChIKeyRESBDMMNJUNJPB-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
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3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
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1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
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4-(3-hydroxyphenyl)-2-(4-phenylphenyl)butanamide
CID 174603850
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
N-hydroxy-4-[3-(6-oxo-6-phenylhexyl)phenyl]benzamide
CID 142273250
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
CID 11682809

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one (CID 58190197) is 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one is O=C(CCc1cccc(O)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one?
The InChIKey is RESBDMMNJUNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-20-8-4-5-16(15-20)9-14-21(23)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-8,10-13,15,22H,9,14H2.
What are the key properties of 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one?
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one has a molecular weight of 302.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 58190197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).