(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate

C16H12O5 — CID 2972364

IUPAC(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate
SMILESCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C16H12O5/c1-9-8-14(17)21-15-10(2)12(6-5-11(9)15)20-16(18)13-4-3-7-19-13/h3-8H,1-2H3
InChIKeyZAFJHPAMYGFKKI-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.22
Rot. Bonds2

About (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate

(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate (PubChem CID 2972364) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate
PubChem CID2972364
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate
SMILESCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C16H12O5/c1-9-8-14(17)21-15-10(2)12(6-5-11(9)15)20-16(18)13-4-3-7-19-13/h3-8H,1-2H3
InChIKeyZAFJHPAMYGFKKI-UHFFFAOYSA-N
XLogP3.22
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4,8-dimethyl-2-oxochromen-7-yl) furan-2-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 (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate?
The IUPAC name of (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate (CID 2972364) is (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate.
What is the SMILES notation for (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate?
The canonical SMILES for (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate is Cc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12.
What is the InChIKey of (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate?
The InChIKey is ZAFJHPAMYGFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-9-8-14(17)21-15-10(2)12(6-5-11(9)15)20-16(18)13-4-3-7-19-13/h3-8H,1-2H3.
What are the key properties of (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate?
(4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-2-oxochromen-7-yl) furan-2-carboxylate is sourced from PubChem (CID 2972364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).