7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one

C22H18O4 — CID 10593671

IUPAC7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one
SMILESCCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12
InChIInChI=1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+
InChIKeyRCPBGBWHKGZPFO-CMDGGOBGSA-N
MW346.38 g/mol
LogP5.50
Rot. Bonds5

About 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one

7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one (PubChem CID 10593671) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one
PubChem CID10593671
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one
SMILESCCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12
InChIInChI=1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+
InChIKeyRCPBGBWHKGZPFO-CMDGGOBGSA-N
XLogP5.50
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one?
The IUPAC name of 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one (CID 10593671) is 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one.
What is the SMILES notation for 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one?
The canonical SMILES for 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one is CCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c12.
What is the InChIKey of 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one?
The InChIKey is RCPBGBWHKGZPFO-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+.
What are the key properties of 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one?
7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one has a molecular weight of 346.38 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 10593671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).