cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate

C18H18O7S — CID 134815503

IUPACcyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
SMILESCOc1c2ccoc2c(S(=O)(=O)OC2CCCC2)c2oc(C)cc(=O)c12
InChIInChI=1S/C18H18O7S/c1-10-9-13(19)14-15(22-2)12-7-8-23-16(12)18(17(14)24-10)26(20,21)25-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyANHCBMFDKMYETH-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.50
Rot. Bonds4

About cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate

cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate (PubChem CID 134815503) has the molecular formula C18H18O7S and a molecular weight of 378.40 g/mol. Its IUPAC name is cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate.

Molecular Properties

Compound Namecyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
PubChem CID134815503
Molecular FormulaC18H18O7S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Namecyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
SMILESCOc1c2ccoc2c(S(=O)(=O)OC2CCCC2)c2oc(C)cc(=O)c12
InChIInChI=1S/C18H18O7S/c1-10-9-13(19)14-15(22-2)12-7-8-23-16(12)18(17(14)24-10)26(20,21)25-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyANHCBMFDKMYETH-UHFFFAOYSA-N
XLogP3.50
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate?
The IUPAC name of cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate (CID 134815503) is cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate.
What is the SMILES notation for cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate?
The canonical SMILES for cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate is COc1c2ccoc2c(S(=O)(=O)OC2CCCC2)c2oc(C)cc(=O)c12.
What is the InChIKey of cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate?
The InChIKey is ANHCBMFDKMYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7S/c1-10-9-13(19)14-15(22-2)12-7-8-23-16(12)18(17(14)24-10)26(20,21)25-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate?
cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate has a molecular weight of 378.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate is sourced from PubChem (CID 134815503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).