3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one

C16H16O3 — CID 707841

IUPAC3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
SMILESCCCc1cc(=O)oc2cc(C)c3c(C)coc3c12
InChIInChI=1S/C16H16O3/c1-4-5-11-7-13(17)19-12-6-9(2)14-10(3)8-18-16(14)15(11)12/h6-8H,4-5H2,1-3H3
InChIKeyHRPWYUDVOFMJQA-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.11
Rot. Bonds2

About 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one

3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one (PubChem CID 707841) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one.

Molecular Properties

Compound Name3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
PubChem CID707841
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
SMILESCCCc1cc(=O)oc2cc(C)c3c(C)coc3c12
InChIInChI=1S/C16H16O3/c1-4-5-11-7-13(17)19-12-6-9(2)14-10(3)8-18-16(14)15(11)12/h6-8H,4-5H2,1-3H3
InChIKeyHRPWYUDVOFMJQA-UHFFFAOYSA-N
XLogP4.11
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one?
The IUPAC name of 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one (CID 707841) is 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one.
What is the SMILES notation for 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one?
The canonical SMILES for 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one is CCCc1cc(=O)oc2cc(C)c3c(C)coc3c12.
What is the InChIKey of 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one?
The InChIKey is HRPWYUDVOFMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-4-5-11-7-13(17)19-12-6-9(2)14-10(3)8-18-16(14)15(11)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one?
3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one has a molecular weight of 256.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one is sourced from PubChem (CID 707841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).