2-(3-methoxyphenyl)-2,3-dihydropyran-4-one

C12H12O3 — CID 11287173

IUPAC2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
SMILESCOc1cccc(C2CC(=O)C=CO2)c1
InChIInChI=1S/C12H12O3/c1-14-11-4-2-3-9(7-11)12-8-10(13)5-6-15-12/h2-7,12H,8H2,1H3
InChIKeyGUHNPIFUALEWNE-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.24
Rot. Bonds2

About 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one

2-(3-methoxyphenyl)-2,3-dihydropyran-4-one (PubChem CID 11287173) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
PubChem CID11287173
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
SMILESCOc1cccc(C2CC(=O)C=CO2)c1
InChIInChI=1S/C12H12O3/c1-14-11-4-2-3-9(7-11)12-8-10(13)5-6-15-12/h2-7,12H,8H2,1H3
InChIKeyGUHNPIFUALEWNE-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one (CID 11287173) is 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one is COc1cccc(C2CC(=O)C=CO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one?
The InChIKey is GUHNPIFUALEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-11-4-2-3-9(7-11)12-8-10(13)5-6-15-12/h2-7,12H,8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one?
2-(3-methoxyphenyl)-2,3-dihydropyran-4-one has a molecular weight of 204.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 11287173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).