5-(3-methoxybenzoyl)oxolan-2-one

C12H12O4 — CID 82127589

IUPAC5-(3-methoxybenzoyl)oxolan-2-one
SMILESCOc1cccc(C(=O)C2CCC(=O)O2)c1
InChIInChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)12(14)10-5-6-11(13)16-10/h2-4,7,10H,5-6H2,1H3
InChIKeyRNXLOXNYBFPPAY-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.58
Rot. Bonds3

About 5-(3-methoxybenzoyl)oxolan-2-one

5-(3-methoxybenzoyl)oxolan-2-one (PubChem CID 82127589) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-(3-methoxybenzoyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-methoxybenzoyl)oxolan-2-one
PubChem CID82127589
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name5-(3-methoxybenzoyl)oxolan-2-one
SMILESCOc1cccc(C(=O)C2CCC(=O)O2)c1
InChIInChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)12(14)10-5-6-11(13)16-10/h2-4,7,10H,5-6H2,1H3
InChIKeyRNXLOXNYBFPPAY-UHFFFAOYSA-N
XLogP1.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxybenzoyl)oxolan-2-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

cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one
CID 177394421
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)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
N-cyclopropyl-3-methoxybenzamide
CID 900156
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxybenzoyl)oxolan-2-one?
The IUPAC name of 5-(3-methoxybenzoyl)oxolan-2-one (CID 82127589) is 5-(3-methoxybenzoyl)oxolan-2-one.
What is the SMILES notation for 5-(3-methoxybenzoyl)oxolan-2-one?
The canonical SMILES for 5-(3-methoxybenzoyl)oxolan-2-one is COc1cccc(C(=O)C2CCC(=O)O2)c1.
What is the InChIKey of 5-(3-methoxybenzoyl)oxolan-2-one?
The InChIKey is RNXLOXNYBFPPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)12(14)10-5-6-11(13)16-10/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 5-(3-methoxybenzoyl)oxolan-2-one?
5-(3-methoxybenzoyl)oxolan-2-one has a molecular weight of 220.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxybenzoyl)oxolan-2-one is sourced from PubChem (CID 82127589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).