2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate

C19H22O7 — CID 163018446

IUPAC2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
SMILESCC(O)C(C)(O)C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C19H22O7/c1-10(20)19(4,23)17(22)26-18(2,3)15-8-12-7-11-5-6-16(21)25-13(11)9-14(12)24-15/h5-7,9-10,15,20,23H,8H2,1-4H3
InChIKeyLOVRWVLOUWSIKS-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.55
Rot. Bonds4

About 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate

2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate (PubChem CID 163018446) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate.

Molecular Properties

Compound Name2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
PubChem CID163018446
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
SMILESCC(O)C(C)(O)C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C19H22O7/c1-10(20)19(4,23)17(22)26-18(2,3)15-8-12-7-11-5-6-16(21)25-13(11)9-14(12)24-15/h5-7,9-10,15,20,23H,8H2,1-4H3
InChIKeyLOVRWVLOUWSIKS-UHFFFAOYSA-N
XLogP1.55
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 26305
2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
CID 162805696
(2R)-2-[2-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 163010281
2-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 57488100
(2S)-2-[(1R)-1-hydroxy-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 162954241
2-[1-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 162954239
(2R)-2-[(2S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 163084405
2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
CID 162933974
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) acetate
CID 24864690
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 1150962
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
CID 45359636
(2R)-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 162998314

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate?
The IUPAC name of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate (CID 163018446) is 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate.
What is the SMILES notation for 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate?
The canonical SMILES for 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate is CC(O)C(C)(O)C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1.
What is the InChIKey of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate?
The InChIKey is LOVRWVLOUWSIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-10(20)19(4,23)17(22)26-18(2,3)15-8-12-7-11-5-6-16(21)25-13(11)9-14(12)24-15/h5-7,9-10,15,20,23H,8H2,1-4H3.
What are the key properties of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate?
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate has a molecular weight of 362.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate is sourced from PubChem (CID 163018446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).