tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate

C17H20O3 — CID 13130673

IUPACtert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
SMILESCc1oc(C)c(-c2ccccc2)c1C(=O)OC(C)(C)C
InChIInChI=1S/C17H20O3/c1-11-14(13-9-7-6-8-10-13)15(12(2)19-11)16(18)20-17(3,4)5/h6-10H,1-5H3
InChIKeyDZBAZNYLJBZMKK-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.52
Rot. Bonds2

About tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate

tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate (PubChem CID 13130673) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
PubChem CID13130673
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nametert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
SMILESCc1oc(C)c(-c2ccccc2)c1C(=O)OC(C)(C)C
InChIInChI=1S/C17H20O3/c1-11-14(13-9-7-6-8-10-13)15(12(2)19-11)16(18)20-17(3,4)5/h6-10H,1-5H3
InChIKeyDZBAZNYLJBZMKK-UHFFFAOYSA-N
XLogP4.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate?
The IUPAC name of tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate (CID 13130673) is tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate.
What is the SMILES notation for tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate?
The canonical SMILES for tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate is Cc1oc(C)c(-c2ccccc2)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate?
The InChIKey is DZBAZNYLJBZMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-11-14(13-9-7-6-8-10-13)15(12(2)19-11)16(18)20-17(3,4)5/h6-10H,1-5H3.
What are the key properties of tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate?
tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate is sourced from PubChem (CID 13130673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).