2,2-bis(2-methylphenyl)ethenone

C16H14O — CID 102330558

IUPAC2,2-bis(2-methylphenyl)ethenone
SMILESCc1ccccc1C(=C=O)c1ccccc1C
InChIInChI=1S/C16H14O/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10H,1-2H3
InChIKeyPCCORRBAVAVSCN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.57
Rot. Bonds2

About 2,2-bis(2-methylphenyl)ethenone

2,2-bis(2-methylphenyl)ethenone (PubChem CID 102330558) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,2-bis(2-methylphenyl)ethenone.

Molecular Properties

Compound Name2,2-bis(2-methylphenyl)ethenone
PubChem CID102330558
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name2,2-bis(2-methylphenyl)ethenone
SMILESCc1ccccc1C(=C=O)c1ccccc1C
InChIInChI=1S/C16H14O/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10H,1-2H3
InChIKeyPCCORRBAVAVSCN-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 11171770
3-(dimethylamino)-1-(2-methylphenyl)prop-2-yn-1-one
CID 116825545
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
tris(2-methylbenzoyl)sulfanium
CID 142714960
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
isocyanic acid;2-methyl-1-(2-methylphenyl)prop-2-en-1-one
CID 175457296
formic acid;1,2-xylene
CID 175948526

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylphenyl)ethenone?
The IUPAC name of 2,2-bis(2-methylphenyl)ethenone (CID 102330558) is 2,2-bis(2-methylphenyl)ethenone.
What is the SMILES notation for 2,2-bis(2-methylphenyl)ethenone?
The canonical SMILES for 2,2-bis(2-methylphenyl)ethenone is Cc1ccccc1C(=C=O)c1ccccc1C.
What is the InChIKey of 2,2-bis(2-methylphenyl)ethenone?
The InChIKey is PCCORRBAVAVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-12-7-3-5-9-14(12)16(11-17)15-10-6-4-8-13(15)2/h3-10H,1-2H3.
What are the key properties of 2,2-bis(2-methylphenyl)ethenone?
2,2-bis(2-methylphenyl)ethenone has a molecular weight of 222.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylphenyl)ethenone is sourced from PubChem (CID 102330558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).