6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one

C19H16O2 — CID 22890152

IUPAC6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one
SMILESCc1cccc(C(=O)C=C2Cc3ccc(C)cc3C2=O)c1
InChIInChI=1S/C19H16O2/c1-12-4-3-5-15(8-12)18(20)11-16-10-14-7-6-13(2)9-17(14)19(16)21/h3-9,11H,10H2,1-2H3
InChIKeyOOEYZQKYDZSSPL-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.85
Rot. Bonds2

About 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one

6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one (PubChem CID 22890152) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one.

Molecular Properties

Compound Name6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one
PubChem CID22890152
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one
SMILESCc1cccc(C(=O)C=C2Cc3ccc(C)cc3C2=O)c1
InChIInChI=1S/C19H16O2/c1-12-4-3-5-15(8-12)18(20)11-16-10-14-7-6-13(2)9-17(14)19(16)21/h3-9,11H,10H2,1-2H3
InChIKeyOOEYZQKYDZSSPL-UHFFFAOYSA-N
XLogP3.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
2-hydroxy-2-methyl-1-(6-methyl-9H-fluoren-3-yl)propan-1-one
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3-methylbenzoic acid
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(7E)-7-[(4-methylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
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ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one?
The IUPAC name of 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one (CID 22890152) is 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one.
What is the SMILES notation for 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one?
The canonical SMILES for 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one is Cc1cccc(C(=O)C=C2Cc3ccc(C)cc3C2=O)c1.
What is the InChIKey of 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one?
The InChIKey is OOEYZQKYDZSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-12-4-3-5-15(8-12)18(20)11-16-10-14-7-6-13(2)9-17(14)19(16)21/h3-9,11H,10H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one?
6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one has a molecular weight of 276.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one is sourced from PubChem (CID 22890152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).