2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate

C20H22O6 — CID 162805696

IUPAC2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
SMILESCC=C(CCO)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C20H22O6/c1-4-12(7-8-21)19(23)26-20(2,3)17-10-14-9-13-5-6-18(22)25-15(13)11-16(14)24-17/h4-6,9,11,17,21H,7-8,10H2,1-3H3/t17-/m1/s1
InChIKeySMNSOYCWHNOSGA-QGZVFWFLSA-N
MW358.39 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate

2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate (PubChem CID 162805696) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate.

Molecular Properties

Compound Name2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
PubChem CID162805696
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
SMILESCC=C(CCO)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C20H22O6/c1-4-12(7-8-21)19(23)26-20(2,3)17-10-14-9-13-5-6-18(22)25-15(13)11-16(14)24-17/h4-6,9,11,17,21H,7-8,10H2,1-3H3/t17-/m1/s1
InChIKeySMNSOYCWHNOSGA-QGZVFWFLSA-N
XLogP2.75
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 26305
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 2,3-dihydroxy-2-methylbutanoate
CID 163018446
(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-[(2S)-2-[(2-amino-4-pyridinyl)methyl]-7-oxo-3H-furo[3,2-g]chromen-2-yl]propan-2-yl (E)-2-(2-hydroxyethyl)but-2-enoate
CID 162793506
(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-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 57488100
2-[2-[[6-amino-3-[2-[3-(methylaminomethyl)azetidin-1-yl]-2-oxoethyl]-1,2-dihydropyridin-4-yl]methyl]-7-oxo-3H-furo[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate
CID 163181397
[(8R)-7,7-dimethyl-2-oxo-6,8-dihydropyrano[3,2-g]chromen-8-yl] 3-methylbut-2-enoate
CID 162987193
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 4-hydroxy-3-methylbut-2-enoate
CID 72786169
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) acetate
CID 24864690

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate?
The IUPAC name of 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate (CID 162805696) is 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate.
What is the SMILES notation for 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate?
The canonical SMILES for 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate is CC=C(CCO)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1.
What is the InChIKey of 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate?
The InChIKey is SMNSOYCWHNOSGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22O6/c1-4-12(7-8-21)19(23)26-20(2,3)17-10-14-9-13-5-6-18(22)25-15(13)11-16(14)24-17/h4-6,9,11,17,21H,7-8,10H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate?
2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate has a molecular weight of 358.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(2-hydroxyethyl)but-2-enoate is sourced from PubChem (CID 162805696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).