7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one

C24H17ClO3 — CID 54714181

IUPAC7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one
SMILESO=c1oc2cc(Cl)ccc2c(O)c1C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17ClO3/c25-18-12-14-20-21(15-18)28-24(27)22(23(20)26)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-15,19,26H/b13-11+
InChIKeyOOQYFZIGEPHWAM-ACCUITESSA-N
MW388.85 g/mol
LogP6.00
Rot. Bonds4

About 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one

7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one (PubChem CID 54714181) has the molecular formula C24H17ClO3 and a molecular weight of 388.85 g/mol. Its IUPAC name is 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one
PubChem CID54714181
Molecular FormulaC24H17ClO3
Molecular Weight388.85 g/mol
Exact Mass388.09
IUPAC Name7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one
SMILESO=c1oc2cc(Cl)ccc2c(O)c1C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17ClO3/c25-18-12-14-20-21(15-18)28-24(27)22(23(20)26)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-15,19,26H/b13-11+
InChIKeyOOQYFZIGEPHWAM-ACCUITESSA-N
XLogP6.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one?
The IUPAC name of 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one (CID 54714181) is 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one?
The canonical SMILES for 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one is O=c1oc2cc(Cl)ccc2c(O)c1C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one?
The InChIKey is OOQYFZIGEPHWAM-ACCUITESSA-N. The full InChI is InChI=1S/C24H17ClO3/c25-18-12-14-20-21(15-18)28-24(27)22(23(20)26)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-15,19,26H/b13-11+.
What are the key properties of 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one?
7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one has a molecular weight of 388.85 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(E)-1,3-diphenylprop-2-enyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 54714181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).