1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone

C22H18O3 — CID 59088943

IUPAC1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(O)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C22H18O3/c23-18-11-12-19(21(24)13-16-7-3-1-4-8-16)20(15-18)22(25)14-17-9-5-2-6-10-17/h1-12,15,23H,13-14H2
InChIKeyGZCQDAOMOOZMCC-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone

1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone (PubChem CID 59088943) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
PubChem CID59088943
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(O)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C22H18O3/c23-18-11-12-19(21(24)13-16-7-3-1-4-8-16)20(15-18)22(25)14-17-9-5-2-6-10-17/h1-12,15,23H,13-14H2
InChIKeyGZCQDAOMOOZMCC-UHFFFAOYSA-N
XLogP4.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
CID 54179065
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
CID 151242683
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 79596157
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate
CID 158652072

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone (CID 59088943) is 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(O)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The InChIKey is GZCQDAOMOOZMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c23-18-11-12-19(21(24)13-16-7-3-1-4-8-16)20(15-18)22(25)14-17-9-5-2-6-10-17/h1-12,15,23H,13-14H2.
What are the key properties of 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone has a molecular weight of 330.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 59088943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).