4-methyl-7-(4-methylphenyl)chromen-2-one

C17H14O2 — CID 131978430

IUPAC4-methyl-7-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C17H14O2/c1-11-3-5-13(6-4-11)14-7-8-15-12(2)9-17(18)19-16(15)10-14/h3-10H,1-2H3
InChIKeySZILXHYCKMHYNM-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.08
Rot. Bonds1

About 4-methyl-7-(4-methylphenyl)chromen-2-one

4-methyl-7-(4-methylphenyl)chromen-2-one (PubChem CID 131978430) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-7-(4-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(4-methylphenyl)chromen-2-one
PubChem CID131978430
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name4-methyl-7-(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C17H14O2/c1-11-3-5-13(6-4-11)14-7-8-15-12(2)9-17(18)19-16(15)10-14/h3-10H,1-2H3
InChIKeySZILXHYCKMHYNM-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one
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CID 89064299
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7-(4-methylphenyl)chromen-2-one
CID 50994676
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
4-methyl-7-nitrosochromen-2-one
CID 122373464
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
CID 102278578

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(4-methylphenyl)chromen-2-one?
The IUPAC name of 4-methyl-7-(4-methylphenyl)chromen-2-one (CID 131978430) is 4-methyl-7-(4-methylphenyl)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(4-methylphenyl)chromen-2-one?
The canonical SMILES for 4-methyl-7-(4-methylphenyl)chromen-2-one is Cc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 4-methyl-7-(4-methylphenyl)chromen-2-one?
The InChIKey is SZILXHYCKMHYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-3-5-13(6-4-11)14-7-8-15-12(2)9-17(18)19-16(15)10-14/h3-10H,1-2H3.
What are the key properties of 4-methyl-7-(4-methylphenyl)chromen-2-one?
4-methyl-7-(4-methylphenyl)chromen-2-one has a molecular weight of 250.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(4-methylphenyl)chromen-2-one is sourced from PubChem (CID 131978430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).