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

C18H20O5 — CID 162933974

IUPAC2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C18H20O5/c1-10(2)17(20)23-18(3,4)14-9-12-13(21-14)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyJBQHVGSHZLWWDC-CQSZACIVSA-N
MW316.35 g/mol
LogP3.07
Rot. Bonds3

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

2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate (PubChem CID 162933974) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
PubChem CID162933974
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C18H20O5/c1-10(2)17(20)23-18(3,4)14-9-12-13(21-14)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyJBQHVGSHZLWWDC-CQSZACIVSA-N
XLogP3.07
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate
CID 162979060
2-[(8S,9R)-9-(2-methylpropanoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
CID 58488745
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
CID 163018446
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
CID 131835378
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
CID 45359636
2-[(8S,9R)-9-acetyloxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbutanoate
CID 23899988
8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one
CID 72993679
[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
CID 164512110
[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] propanoate
CID 131753064
[(8R,9R)-8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 2-methylbut-2-enoate
CID 163004183
[(8S,9S)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate
CID 163015602
2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
CID 162805696

Frequently Asked Questions

What is the IUPAC name of 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate?
The IUPAC name of 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate (CID 162933974) is 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate is CC(C)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1.
What is the InChIKey of 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate?
The InChIKey is JBQHVGSHZLWWDC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20O5/c1-10(2)17(20)23-18(3,4)14-9-12-13(21-14)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate?
2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate has a molecular weight of 316.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 162933974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).