2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate

C17H18O5 — CID 162979060

IUPAC2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)C1Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C17H18O5/c1-4-14(18)22-17(2,3)13-9-11-12(20-13)7-5-10-6-8-15(19)21-16(10)11/h5-8,13H,4,9H2,1-3H3
InChIKeyZHPCIDFYPMOPEF-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate

2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate (PubChem CID 162979060) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate.

Molecular Properties

Compound Name2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate
PubChem CID162979060
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)C1Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C17H18O5/c1-4-14(18)22-17(2,3)13-9-11-12(20-13)7-5-10-6-8-15(19)21-16(10)11/h5-8,13H,4,9H2,1-3H3
InChIKeyZHPCIDFYPMOPEF-UHFFFAOYSA-N
XLogP2.83
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate?
The IUPAC name of 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate (CID 162979060) is 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate.
What is the SMILES notation for 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate?
The canonical SMILES for 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate is CCC(=O)OC(C)(C)C1Cc2c(ccc3ccc(=O)oc23)O1.
What is the InChIKey of 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate?
The InChIKey is ZHPCIDFYPMOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-4-14(18)22-17(2,3)13-9-11-12(20-13)7-5-10-6-8-15(19)21-16(10)11/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate?
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate has a molecular weight of 302.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate is sourced from PubChem (CID 162979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).