2-(3-methylphenyl)-2,3-dihydropyran-6-one

C12H12O2 — CID 56658040

IUPAC2-(3-methylphenyl)-2,3-dihydropyran-6-one
SMILESCc1cccc(C2CC=CC(=O)O2)c1
InChIInChI=1S/C12H12O2/c1-9-4-2-5-10(8-9)11-6-3-7-12(13)14-11/h2-5,7-8,11H,6H2,1H3
InChIKeyOSMQIWAXDZECBO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

About 2-(3-methylphenyl)-2,3-dihydropyran-6-one

2-(3-methylphenyl)-2,3-dihydropyran-6-one (PubChem CID 56658040) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-2,3-dihydropyran-6-one
PubChem CID56658040
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(3-methylphenyl)-2,3-dihydropyran-6-one
SMILESCc1cccc(C2CC=CC(=O)O2)c1
InChIInChI=1S/C12H12O2/c1-9-4-2-5-10(8-9)11-6-3-7-12(13)14-11/h2-5,7-8,11H,6H2,1H3
InChIKeyOSMQIWAXDZECBO-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(3-methylphenyl)-2,3-dihydropyran-6-one (CID 56658040) is 2-(3-methylphenyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(3-methylphenyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(3-methylphenyl)-2,3-dihydropyran-6-one is Cc1cccc(C2CC=CC(=O)O2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2,3-dihydropyran-6-one?
The InChIKey is OSMQIWAXDZECBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-4-2-5-10(8-9)11-6-3-7-12(13)14-11/h2-5,7-8,11H,6H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2,3-dihydropyran-6-one?
2-(3-methylphenyl)-2,3-dihydropyran-6-one has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 56658040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).