methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate

C20H14O5 — CID 122573425

IUPACmethyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate
SMILESCOC(=O)c1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O
InChIInChI=1S/C20H14O5/c1-11-13-8-14-15(12-6-4-3-5-7-12)10-24-16(14)9-17(13)25-20(22)18(11)19(21)23-2/h3-10H,1-2H3
InChIKeyKBTXIGAFTIQCFX-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.30
Rot. Bonds2

About methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate

methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate (PubChem CID 122573425) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate
PubChem CID122573425
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Namemethyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate
SMILESCOC(=O)c1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O
InChIInChI=1S/C20H14O5/c1-11-13-8-14-15(12-6-4-3-5-7-12)10-24-16(14)9-17(13)25-20(22)18(11)19(21)23-2/h3-10H,1-2H3
InChIKeyKBTXIGAFTIQCFX-UHFFFAOYSA-N
XLogP4.30
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.30
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

N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4967700
10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707803
3-methyl-2-[3-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
CID 3828683
4-methyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
CID 3362840
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 40961301
N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869285
5-[(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)methyl]-1,3,4-oxathiazol-2-one
CID 155531009
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(2-methoxyethyl)acetamide
CID 4974497
(2R)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid
CID 6352026
5-methyl-3-(4-methylphenyl)-6-(2-methylpropyl)furo[3,2-g]chromen-7-one
CID 5182860
2-[[3-benzylsulfanyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]acetic acid
CID 73400133

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate?
The IUPAC name of methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate (CID 122573425) is methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate?
The canonical SMILES for methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate is COC(=O)c1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O.
What is the InChIKey of methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate?
The InChIKey is KBTXIGAFTIQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c1-11-13-8-14-15(12-6-4-3-5-7-12)10-24-16(14)9-17(13)25-20(22)18(11)19(21)23-2/h3-10H,1-2H3.
What are the key properties of methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate?
methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate is sourced from PubChem (CID 122573425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).