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

C16H12O2 — CID 776385

IUPAC2-(2-methylphenyl)chromen-4-one
SMILESCc1ccccc1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)16-10-14(17)13-8-4-5-9-15(13)18-16/h2-10H,1H3
InChIKeyXCXVIRAAVALBFW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.77
Rot. Bonds1

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

2-(2-methylphenyl)chromen-4-one (PubChem CID 776385) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)chromen-4-one
PubChem CID776385
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name2-(2-methylphenyl)chromen-4-one
SMILESCc1ccccc1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)16-10-14(17)13-8-4-5-9-15(13)18-16/h2-10H,1H3
InChIKeyXCXVIRAAVALBFW-UHFFFAOYSA-N
XLogP3.77
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)chromen-4-one?
The IUPAC name of 2-(2-methylphenyl)chromen-4-one (CID 776385) is 2-(2-methylphenyl)chromen-4-one.
What is the SMILES notation for 2-(2-methylphenyl)chromen-4-one?
The canonical SMILES for 2-(2-methylphenyl)chromen-4-one is Cc1ccccc1-c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-(2-methylphenyl)chromen-4-one?
The InChIKey is XCXVIRAAVALBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)16-10-14(17)13-8-4-5-9-15(13)18-16/h2-10H,1H3.
What are the key properties of 2-(2-methylphenyl)chromen-4-one?
2-(2-methylphenyl)chromen-4-one has a molecular weight of 236.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)chromen-4-one is sourced from PubChem (CID 776385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).