2-(3-methylphenyl)-4H-chromen-3-one

C16H14O2 — CID 70545875

IUPAC2-(3-methylphenyl)-4H-chromen-3-one
SMILESCc1cccc(C2Oc3ccccc3CC2=O)c1
InChIInChI=1S/C16H14O2/c1-11-5-4-7-13(9-11)16-14(17)10-12-6-2-3-8-15(12)18-16/h2-9,16H,10H2,1H3
InChIKeyXUTSJRZIUQSLFB-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.24
Rot. Bonds1

About 2-(3-methylphenyl)-4H-chromen-3-one

2-(3-methylphenyl)-4H-chromen-3-one (PubChem CID 70545875) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-4H-chromen-3-one
PubChem CID70545875
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-(3-methylphenyl)-4H-chromen-3-one
SMILESCc1cccc(C2Oc3ccccc3CC2=O)c1
InChIInChI=1S/C16H14O2/c1-11-5-4-7-13(9-11)16-14(17)10-12-6-2-3-8-15(12)18-16/h2-9,16H,10H2,1H3
InChIKeyXUTSJRZIUQSLFB-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4H-chromen-3-one?
The IUPAC name of 2-(3-methylphenyl)-4H-chromen-3-one (CID 70545875) is 2-(3-methylphenyl)-4H-chromen-3-one.
What is the SMILES notation for 2-(3-methylphenyl)-4H-chromen-3-one?
The canonical SMILES for 2-(3-methylphenyl)-4H-chromen-3-one is Cc1cccc(C2Oc3ccccc3CC2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-4H-chromen-3-one?
The InChIKey is XUTSJRZIUQSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-5-4-7-13(9-11)16-14(17)10-12-6-2-3-8-15(12)18-16/h2-9,16H,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4H-chromen-3-one?
2-(3-methylphenyl)-4H-chromen-3-one has a molecular weight of 238.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4H-chromen-3-one is sourced from PubChem (CID 70545875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).