5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate

C21H15O6- — CID 7001864

IUPAC5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
SMILESCc1oc(C(=O)[O-])cc1COc1ccc2c(oc(=O)c3ccccc32)c1C
InChIInChI=1S/C21H16O6/c1-11-17(25-10-13-9-18(20(22)23)26-12(13)2)8-7-15-14-5-3-4-6-16(14)21(24)27-19(11)15/h3-9H,10H2,1-2H3,(H,22,23)/p-1
InChIKeyIUOQTIBTHSSQTI-UHFFFAOYSA-M
MW363.35 g/mol
LogP3.10
Rot. Bonds4

About 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate

5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate (PubChem CID 7001864) has the molecular formula C21H15O6- and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
PubChem CID7001864
Molecular FormulaC21H15O6-
Molecular Weight363.35 g/mol
Exact Mass363.09
IUPAC Name5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
SMILESCc1oc(C(=O)[O-])cc1COc1ccc2c(oc(=O)c3ccccc32)c1C
InChIInChI=1S/C21H16O6/c1-11-17(25-10-13-9-18(20(22)23)26-12(13)2)8-7-15-14-5-3-4-6-16(14)21(24)27-19(11)15/h3-9H,10H2,1-2H3,(H,22,23)/p-1
InChIKeyIUOQTIBTHSSQTI-UHFFFAOYSA-M
XLogP3.10
TPSA92.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
5-methyl-4-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 1320902
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
5-methyl-4-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
CID 7078069
2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate
CID 7083931
N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4911936
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
(4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
CID 3344720

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate?
The IUPAC name of 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate (CID 7001864) is 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate is Cc1oc(C(=O)[O-])cc1COc1ccc2c(oc(=O)c3ccccc32)c1C.
What is the InChIKey of 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate?
The InChIKey is IUOQTIBTHSSQTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16O6/c1-11-17(25-10-13-9-18(20(22)23)26-12(13)2)8-7-15-14-5-3-4-6-16(14)21(24)27-19(11)15/h3-9H,10H2,1-2H3,(H,22,23)/p-1.
What are the key properties of 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate?
5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate has a molecular weight of 363.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7001864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).