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

C12H12O4 — CID 59244973

IUPAC3-(3-methoxybenzoyl)oxolan-2-one
SMILESCOc1cccc(C(=O)C2CCOC2=O)c1
InChIInChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)11(13)10-5-6-16-12(10)14/h2-4,7,10H,5-6H2,1H3
InChIKeyVEZWFPSTKAJKER-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.44
Rot. Bonds3

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

3-(3-methoxybenzoyl)oxolan-2-one (PubChem CID 59244973) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(3-methoxybenzoyl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-methoxybenzoyl)oxolan-2-one
PubChem CID59244973
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name3-(3-methoxybenzoyl)oxolan-2-one
SMILESCOc1cccc(C(=O)C2CCOC2=O)c1
InChIInChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)11(13)10-5-6-16-12(10)14/h2-4,7,10H,5-6H2,1H3
InChIKeyVEZWFPSTKAJKER-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
5-(3-methoxybenzoyl)oxolan-2-one
CID 82127589
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
2-(3-methoxybenzoyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 67130523
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
(2R)-2-(3-methoxybenzoyl)-2,3-dihydropyran-4-one
CID 177394421
2-methylideneoxirane;methyl 3-methoxybenzoate
CID 174957498
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybenzoyl)oxolan-2-one?
The IUPAC name of 3-(3-methoxybenzoyl)oxolan-2-one (CID 59244973) is 3-(3-methoxybenzoyl)oxolan-2-one.
What is the SMILES notation for 3-(3-methoxybenzoyl)oxolan-2-one?
The canonical SMILES for 3-(3-methoxybenzoyl)oxolan-2-one is COc1cccc(C(=O)C2CCOC2=O)c1.
What is the InChIKey of 3-(3-methoxybenzoyl)oxolan-2-one?
The InChIKey is VEZWFPSTKAJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-15-9-4-2-3-8(7-9)11(13)10-5-6-16-12(10)14/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 3-(3-methoxybenzoyl)oxolan-2-one?
3-(3-methoxybenzoyl)oxolan-2-one has a molecular weight of 220.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybenzoyl)oxolan-2-one is sourced from PubChem (CID 59244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).