methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate

C19H14O5 — CID 10782063

IUPACmethyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
SMILESCOC(=O)[C@@H]1c2c(c3ccccc3oc2=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O5/c1-22-18(20)14-15-17(24-16(14)11-7-3-2-4-8-11)12-9-5-6-10-13(12)23-19(15)21/h2-10,14,16H,1H3/t14-,16+/m1/s1
InChIKeyBVFXZETTWZGEKB-ZBFHGGJFSA-N
MW322.32 g/mol
LogP3.18
Rot. Bonds2

About methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate

methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate (PubChem CID 10782063) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
PubChem CID10782063
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Namemethyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
SMILESCOC(=O)[C@@H]1c2c(c3ccccc3oc2=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O5/c1-22-18(20)14-15-17(24-16(14)11-7-3-2-4-8-11)12-9-5-6-10-13(12)23-19(15)21/h2-10,14,16H,1H3/t14-,16+/m1/s1
InChIKeyBVFXZETTWZGEKB-ZBFHGGJFSA-N
XLogP3.18
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.18
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

methyl (2S,3R)-3-(4-fluorophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037790
methyl 3-(4-cyanophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972986
methyl (2R,3R)-3-(4-cyanophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037847
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972956
methyl (2R,3S)-3-(3,4-difluorophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037853
methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037809
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972961
methyl (2R,3R)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97045972
methyl (3S,4R)-4-(4-fluorophenyl)-5-oxo-3,4-dihydro-2H-pyrano[3,2-c]chromene-3-carboxylate
CID 45257851
(7R,11aR)-7-phenyl-7a,9,10,11a-tetrahydro-7H-chromeno[3,2-c]chromene-6,8,11-trione
CID 101123904
methyl (2R,3R)-3-[5-(4-methoxycarbonylphenyl)furan-2-yl]-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544385

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate?
The IUPAC name of methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate (CID 10782063) is methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate is COC(=O)[C@@H]1c2c(c3ccccc3oc2=O)O[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate?
The InChIKey is BVFXZETTWZGEKB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H14O5/c1-22-18(20)14-15-17(24-16(14)11-7-3-2-4-8-11)12-9-5-6-10-13(12)23-19(15)21/h2-10,14,16H,1H3/t14-,16+/m1/s1.
What are the key properties of methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate?
methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate is sourced from PubChem (CID 10782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).