5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one

C21H18O4 — CID 71463561

IUPAC5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1c(O)c(CC=C)c2oc(=O)cc(-c3ccccc3)c2c1O
InChIInChI=1S/C21H18O4/c1-3-8-14-19(23)15(9-4-2)21-18(20(14)24)16(12-17(22)25-21)13-10-6-5-7-11-13/h3-7,10-12,23-24H,1-2,8-9H2
InChIKeyKDSCNSZCTQKSCH-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.33
Rot. Bonds5

About 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one

5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one (PubChem CID 71463561) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
PubChem CID71463561
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1c(O)c(CC=C)c2oc(=O)cc(-c3ccccc3)c2c1O
InChIInChI=1S/C21H18O4/c1-3-8-14-19(23)15(9-4-2)21-18(20(14)24)16(12-17(22)25-21)13-10-6-5-7-11-13/h3-7,10-12,23-24H,1-2,8-9H2
InChIKeyKDSCNSZCTQKSCH-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one?
The IUPAC name of 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one (CID 71463561) is 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one.
What is the SMILES notation for 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one?
The canonical SMILES for 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one is C=CCc1c(O)c(CC=C)c2oc(=O)cc(-c3ccccc3)c2c1O.
What is the InChIKey of 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one?
The InChIKey is KDSCNSZCTQKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-3-8-14-19(23)15(9-4-2)21-18(20(14)24)16(12-17(22)25-21)13-10-6-5-7-11-13/h3-7,10-12,23-24H,1-2,8-9H2.
What are the key properties of 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one?
5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one has a molecular weight of 334.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one is sourced from PubChem (CID 71463561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).