3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione

C18H22O5 — CID 11404359

IUPAC3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCOc1ccc(CC(=O)C2C(=O)OC(CC(C)C)C2=O)cc1C
InChIInChI=1S/C18H22O5/c1-10(2)7-15-17(20)16(18(21)23-15)13(19)9-12-5-6-14(22-4)11(3)8-12/h5-6,8,10,15-16H,7,9H2,1-4H3
InChIKeyLKGVGMBMBGYWAE-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.27
Rot. Bonds6

About 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione

3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione (PubChem CID 11404359) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
PubChem CID11404359
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCOc1ccc(CC(=O)C2C(=O)OC(CC(C)C)C2=O)cc1C
InChIInChI=1S/C18H22O5/c1-10(2)7-15-17(20)16(18(21)23-15)13(19)9-12-5-6-14(22-4)11(3)8-12/h5-6,8,10,15-16H,7,9H2,1-4H3
InChIKeyLKGVGMBMBGYWAE-UHFFFAOYSA-N
XLogP2.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-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

methyl 2-[3,5-dioxo-4-(2-phenylacetyl)oxolan-2-yl]acetate
CID 91564122
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-(4-methoxy-3-methylphenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 133187396
2-bromo-1-cyclopropyl-3-(4-methoxy-3-methylphenyl)propan-1-one
CID 62394840
2-chloro-3-(4-methoxy-3-methylphenyl)propanal
CID 62394660
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454386
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The IUPAC name of 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione (CID 11404359) is 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione.
What is the SMILES notation for 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The canonical SMILES for 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione is COc1ccc(CC(=O)C2C(=O)OC(CC(C)C)C2=O)cc1C.
What is the InChIKey of 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The InChIKey is LKGVGMBMBGYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-10(2)7-15-17(20)16(18(21)23-15)13(19)9-12-5-6-14(22-4)11(3)8-12/h5-6,8,10,15-16H,7,9H2,1-4H3.
What are the key properties of 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-3-methylphenyl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione is sourced from PubChem (CID 11404359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).