8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one

C17H12O5 — CID 6073975

IUPAC8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C(=O)/C=C/c3ccco3)c(O)ccc12
InChIInChI=1S/C17H12O5/c1-10-9-15(20)22-17-12(10)5-7-14(19)16(17)13(18)6-4-11-3-2-8-21-11/h2-9,19H,1H3/b6-4+
InChIKeyGMDPLDDAFWUMMY-GQCTYLIASA-N
MW296.28 g/mol
LogP3.30
Rot. Bonds3

About 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one

8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one (PubChem CID 6073975) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
PubChem CID6073975
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C(=O)/C=C/c3ccco3)c(O)ccc12
InChIInChI=1S/C17H12O5/c1-10-9-15(20)22-17-12(10)5-7-14(19)16(17)13(18)6-4-11-3-2-8-21-11/h2-9,19H,1H3/b6-4+
InChIKeyGMDPLDDAFWUMMY-GQCTYLIASA-N
XLogP3.30
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one (CID 6073975) is 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(C(=O)/C=C/c3ccco3)c(O)ccc12.
What is the InChIKey of 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one?
The InChIKey is GMDPLDDAFWUMMY-GQCTYLIASA-N. The full InChI is InChI=1S/C17H12O5/c1-10-9-15(20)22-17-12(10)5-7-14(19)16(17)13(18)6-4-11-3-2-8-21-11/h2-9,19H,1H3/b6-4+.
What are the key properties of 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one?
8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one has a molecular weight of 296.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 6073975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).