methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate

C19H16O6 — CID 2055778

IUPACmethyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1
InChIInChI=1S/C19H16O6/c1-22-19(21)16-8-6-12(24-16)10-23-11-5-7-14-13-3-2-4-15(13)18(20)25-17(14)9-11/h5-9H,2-4,10H2,1H3
InChIKeyFHVLMVQBOUEZAV-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.24
Rot. Bonds4

About methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate

methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate (PubChem CID 2055778) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate
PubChem CID2055778
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namemethyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1
InChIInChI=1S/C19H16O6/c1-22-19(21)16-8-6-12(24-16)10-23-11-5-7-14-13-3-2-4-15(13)18(20)25-17(14)9-11/h5-9H,2-4,10H2,1H3
InChIKeyFHVLMVQBOUEZAV-UHFFFAOYSA-N
XLogP3.24
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate (CID 2055778) is methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1.
What is the InChIKey of methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate?
The InChIKey is FHVLMVQBOUEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-19(21)16-8-6-12(24-16)10-23-11-5-7-14-13-3-2-4-15(13)18(20)25-17(14)9-11/h5-9H,2-4,10H2,1H3.
What are the key properties of methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate?
methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).