(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one

C13H12O4 — CID 177394421

IUPAC(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one
SMILESCOc1cccc(C(=O)[C@H]2CC(=O)C=CO2)c1
InChIInChI=1S/C13H12O4/c1-16-11-4-2-3-9(7-11)13(15)12-8-10(14)5-6-17-12/h2-7,12H,8H2,1H3/t12-/m1/s1
InChIKeyLRJLXGITQUAUSZ-GFCCVEGCSA-N
MW232.24 g/mol
LogP1.75
Rot. Bonds3

About (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one

(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one (PubChem CID 177394421) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one
PubChem CID177394421
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one
SMILESCOc1cccc(C(=O)[C@H]2CC(=O)C=CO2)c1
InChIInChI=1S/C13H12O4/c1-16-11-4-2-3-9(7-11)13(15)12-8-10(14)5-6-17-12/h2-7,12H,8H2,1H3/t12-/m1/s1
InChIKeyLRJLXGITQUAUSZ-GFCCVEGCSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-methoxybenzoyl)-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

Related Compounds

5-(3-methoxybenzoyl)oxolan-2-one
CID 82127589
2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
CID 11287173
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
2-methylideneoxirane;methyl 3-methoxybenzoate
CID 174957498
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one (CID 177394421) is (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one is COc1cccc(C(=O)[C@H]2CC(=O)C=CO2)c1.
What is the InChIKey of (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one?
The InChIKey is LRJLXGITQUAUSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12O4/c1-16-11-4-2-3-9(7-11)13(15)12-8-10(14)5-6-17-12/h2-7,12H,8H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one?
(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one has a molecular weight of 232.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 177394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).