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

C17H16O3 — CID 141057255

IUPAC1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O3/c1-12(18)10-13-2-6-15(7-3-13)17(20)11-14-4-8-16(19)9-5-14/h2-9,19H,10-11H2,1H3
InChIKeyUPMLFFBJQTTWKS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.95
Rot. Bonds5

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

1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one (PubChem CID 141057255) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
PubChem CID141057255
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O3/c1-12(18)10-13-2-6-15(7-3-13)17(20)11-14-4-8-16(19)9-5-14/h2-9,19H,10-11H2,1H3
InChIKeyUPMLFFBJQTTWKS-UHFFFAOYSA-N
XLogP2.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
4-[2-(4-acetamidophenyl)acetyl]-N-[4-(2-oxopropyl)phenyl]benzamide
CID 160995920
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride
CID 162234618
1-[4-[2-[4-[(4-butylphenyl)diazenyl]phenyl]acetyl]phenyl]propan-2-one
CID 157420533
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
CID 116547280
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one (CID 141057255) is 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one is CC(=O)Cc1ccc(C(=O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one?
The InChIKey is UPMLFFBJQTTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(18)10-13-2-6-15(7-3-13)17(20)11-14-4-8-16(19)9-5-14/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one?
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one is sourced from PubChem (CID 141057255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).