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

C17H14O2 — CID 4038144

IUPAC7-methyl-2-(2-methylphenyl)chromen-4-one
SMILESCc1ccc2c(=O)cc(-c3ccccc3C)oc2c1
InChIInChI=1S/C17H14O2/c1-11-7-8-14-15(18)10-17(19-16(14)9-11)13-6-4-3-5-12(13)2/h3-10H,1-2H3
InChIKeySPKQKUXBDBXVFL-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.08
Rot. Bonds1

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

7-methyl-2-(2-methylphenyl)chromen-4-one (PubChem CID 4038144) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-methyl-2-(2-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-methyl-2-(2-methylphenyl)chromen-4-one
PubChem CID4038144
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name7-methyl-2-(2-methylphenyl)chromen-4-one
SMILESCc1ccc2c(=O)cc(-c3ccccc3C)oc2c1
InChIInChI=1S/C17H14O2/c1-11-7-8-14-15(18)10-17(19-16(14)9-11)13-6-4-3-5-12(13)2/h3-10H,1-2H3
InChIKeySPKQKUXBDBXVFL-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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methylphenyl)chromen-4-one?
The IUPAC name of 7-methyl-2-(2-methylphenyl)chromen-4-one (CID 4038144) is 7-methyl-2-(2-methylphenyl)chromen-4-one.
What is the SMILES notation for 7-methyl-2-(2-methylphenyl)chromen-4-one?
The canonical SMILES for 7-methyl-2-(2-methylphenyl)chromen-4-one is Cc1ccc2c(=O)cc(-c3ccccc3C)oc2c1.
What is the InChIKey of 7-methyl-2-(2-methylphenyl)chromen-4-one?
The InChIKey is SPKQKUXBDBXVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-7-8-14-15(18)10-17(19-16(14)9-11)13-6-4-3-5-12(13)2/h3-10H,1-2H3.
What are the key properties of 7-methyl-2-(2-methylphenyl)chromen-4-one?
7-methyl-2-(2-methylphenyl)chromen-4-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 7-methyl-2-(2-methylphenyl)chromen-4-one is sourced from PubChem (CID 4038144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).