ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one

C20H24O5 — CID 143652322

IUPACethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
SMILESC#CCOc1c2occc2c(OC)c2c(=O)cc(C)oc12.CC.CC
InChIInChI=1S/C16H12O5.2C2H6/c1-4-6-19-16-14-10(5-7-20-14)13(18-3)12-11(17)8-9(2)21-15(12)16;2*1-2/h1,5,7-8H,6H2,2-3H3;2*1-2H3
InChIKeyNPWCJJNIHBDFJP-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.92
Rot. Bonds3

About ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one

ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one (PubChem CID 143652322) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Nameethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
PubChem CID143652322
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Nameethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
SMILESC#CCOc1c2occc2c(OC)c2c(=O)cc(C)oc12.CC.CC
InChIInChI=1S/C16H12O5.2C2H6/c1-4-6-19-16-14-10(5-7-20-14)13(18-3)12-11(17)8-9(2)21-15(12)16;2*1-2/h1,5,7-8H,6H2,2-3H3;2*1-2H3
InChIKeyNPWCJJNIHBDFJP-UHFFFAOYSA-N
XLogP4.92
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one?
The IUPAC name of ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one (CID 143652322) is ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one.
What is the SMILES notation for ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one?
The canonical SMILES for ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one is C#CCOc1c2occc2c(OC)c2c(=O)cc(C)oc12.CC.CC.
What is the InChIKey of ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one?
The InChIKey is NPWCJJNIHBDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5.2C2H6/c1-4-6-19-16-14-10(5-7-20-14)13(18-3)12-11(17)8-9(2)21-15(12)16;2*1-2/h1,5,7-8H,6H2,2-3H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one?
ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one has a molecular weight of 344.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 143652322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).