[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate

C20H22O7 — CID 45359636

IUPAC[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
SMILESCC(=O)OC(C)(C)C1Oc2cc3oc(=O)ccc3cc2C1OC(=O)C(C)C
InChIInChI=1S/C20H22O7/c1-10(2)19(23)26-17-13-8-12-6-7-16(22)24-14(12)9-15(13)25-18(17)20(4,5)27-11(3)21/h6-10,17-18H,1-5H3
InChIKeyIAFDNCWNSBMBIV-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.14
Rot. Bonds4

About [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate

[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate (PubChem CID 45359636) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
PubChem CID45359636
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
SMILESCC(=O)OC(C)(C)C1Oc2cc3oc(=O)ccc3cc2C1OC(=O)C(C)C
InChIInChI=1S/C20H22O7/c1-10(2)19(23)26-17-13-8-12-6-7-16(22)24-14(12)9-15(13)25-18(17)20(4,5)27-11(3)21/h6-10,17-18H,1-5H3
InChIKeyIAFDNCWNSBMBIV-UHFFFAOYSA-N
XLogP3.14
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate?
The IUPAC name of [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate (CID 45359636) is [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate.
What is the SMILES notation for [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate?
The canonical SMILES for [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate is CC(=O)OC(C)(C)C1Oc2cc3oc(=O)ccc3cc2C1OC(=O)C(C)C.
What is the InChIKey of [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate?
The InChIKey is IAFDNCWNSBMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-10(2)19(23)26-17-13-8-12-6-7-16(22)24-14(12)9-15(13)25-18(17)20(4,5)27-11(3)21/h6-10,17-18H,1-5H3.
What are the key properties of [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate?
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate has a molecular weight of 374.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate is sourced from PubChem (CID 45359636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).