phenyl-(2-prop-2-enylphenyl)methanone

C16H14O — CID 12026554

IUPACphenyl-(2-prop-2-enylphenyl)methanone
SMILESC=CCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-8-13-9-6-7-12-15(13)16(17)14-10-4-3-5-11-14/h2-7,9-12H,1,8H2
InChIKeyHYTXMZZSNAJVGC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.65
Rot. Bonds4

About phenyl-(2-prop-2-enylphenyl)methanone

phenyl-(2-prop-2-enylphenyl)methanone (PubChem CID 12026554) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is phenyl-(2-prop-2-enylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2-prop-2-enylphenyl)methanone
PubChem CID12026554
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Namephenyl-(2-prop-2-enylphenyl)methanone
SMILESC=CCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-8-13-9-6-7-12-15(13)16(17)14-10-4-3-5-11-14/h2-7,9-12H,1,8H2
InChIKeyHYTXMZZSNAJVGC-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzoic acid
CID 2752991
(2-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
2-amino-1-(2-prop-2-enylphenyl)ethanone
CID 69248800
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
(2Z)-2-hydrazinylidene-2-(2-prop-2-enylphenyl)acetic acid
CID 102059389
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
2-(3-hydroxy-4-prop-2-enylbenzoyl)benzoic acid
CID 67766519
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-enylphenyl)methanone?
The IUPAC name of phenyl-(2-prop-2-enylphenyl)methanone (CID 12026554) is phenyl-(2-prop-2-enylphenyl)methanone.
What is the SMILES notation for phenyl-(2-prop-2-enylphenyl)methanone?
The canonical SMILES for phenyl-(2-prop-2-enylphenyl)methanone is C=CCc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(2-prop-2-enylphenyl)methanone?
The InChIKey is HYTXMZZSNAJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-8-13-9-6-7-12-15(13)16(17)14-10-4-3-5-11-14/h2-7,9-12H,1,8H2.
What are the key properties of phenyl-(2-prop-2-enylphenyl)methanone?
phenyl-(2-prop-2-enylphenyl)methanone has a molecular weight of 222.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-enylphenyl)methanone is sourced from PubChem (CID 12026554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).