3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one

C23H18O — CID 10662743

IUPAC3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C23H18O/c24-23(18-16-20-11-5-2-6-12-20)22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h1-14H,16,18H2
InChIKeyXPYCRUWIIXWLMF-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.90
Rot. Bonds4

About 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one

3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one (PubChem CID 10662743) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one
PubChem CID10662743
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C23H18O/c24-23(18-16-20-11-5-2-6-12-20)22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h1-14H,16,18H2
InChIKeyXPYCRUWIIXWLMF-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diazo-4-phenyl-1-[2-(2-phenylethynyl)phenyl]butan-1-one
CID 85207252
6-phenyl-1-[2-(2-phenylethynyl)phenyl]hex-5-yn-1-one
CID 11163873
1-[2-(2-phenylethynyl)phenyl]hex-5-en-1-one
CID 10659945
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
CID 11984203
CID 11984203
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
2-fluoro-6-(3-phenylpropanoyl)benzonitrile
CID 146010437
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one?
The IUPAC name of 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one (CID 10662743) is 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one is O=C(CCc1ccccc1)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one?
The InChIKey is XPYCRUWIIXWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c24-23(18-16-20-11-5-2-6-12-20)22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h1-14H,16,18H2.
What are the key properties of 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one?
3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one is sourced from PubChem (CID 10662743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).