3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione

C15H18O4 — CID 102002061

IUPAC3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione
SMILESCOc1ccccc1C1C(=O)OC(=O)C1C(C)(C)C
InChIInChI=1S/C15H18O4/c1-15(2,3)12-11(13(16)19-14(12)17)9-7-5-6-8-10(9)18-4/h5-8,11-12H,1-4H3
InChIKeyLGSHNZMENLGXMR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.52
Rot. Bonds2

About 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione

3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione (PubChem CID 102002061) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione
PubChem CID102002061
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione
SMILESCOc1ccccc1C1C(=O)OC(=O)C1C(C)(C)C
InChIInChI=1S/C15H18O4/c1-15(2,3)12-11(13(16)19-14(12)17)9-7-5-6-8-10(9)18-4/h5-8,11-12H,1-4H3
InChIKeyLGSHNZMENLGXMR-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione 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

3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
3,4-ditert-butyl-3,4-dihydrochromen-2-one
CID 131978924
(3S,4S)-4-(hydroxymethyl)-3-(2-methoxyphenyl)oxolan-2-one
CID 125476085
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
2-(diethylamino)-3-(2-methoxyphenyl)cyclopropan-1-one
CID 155346145
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
8-methoxy-4-methyl-4H-isochromene-1,3-dione
CID 11790367
2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(4S,5S)-5-(2-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402509

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione?
The IUPAC name of 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione (CID 102002061) is 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione?
The canonical SMILES for 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione is COc1ccccc1C1C(=O)OC(=O)C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione?
The InChIKey is LGSHNZMENLGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-15(2,3)12-11(13(16)19-14(12)17)9-7-5-6-8-10(9)18-4/h5-8,11-12H,1-4H3.
What are the key properties of 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione?
3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione is sourced from PubChem (CID 102002061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).