(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one

C22H16O3 — CID 14068741

IUPAC(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccccc2)C(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C22H16O3/c23-17-11-12-20-18(14-17)21(24)19(13-15-7-3-1-4-8-15)22(25-20)16-9-5-2-6-10-16/h1-14,22-23H/b19-13+
InChIKeyYALFFTTYNFBYQD-CPNJWEJPSA-N
MW328.37 g/mol
LogP4.79
Rot. Bonds2

About (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one

(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one (PubChem CID 14068741) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
PubChem CID14068741
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccccc2)C(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C22H16O3/c23-17-11-12-20-18(14-17)21(24)19(13-15-7-3-1-4-8-15)22(25-20)16-9-5-2-6-10-16/h1-14,22-23H/b19-13+
InChIKeyYALFFTTYNFBYQD-CPNJWEJPSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one?
The IUPAC name of (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one (CID 14068741) is (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one is O=C1/C(=C\c2ccccc2)C(c2ccccc2)Oc2ccc(O)cc21.
What is the InChIKey of (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one?
The InChIKey is YALFFTTYNFBYQD-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H16O3/c23-17-11-12-20-18(14-17)21(24)19(13-15-7-3-1-4-8-15)22(25-20)16-9-5-2-6-10-16/h1-14,22-23H/b19-13+.
What are the key properties of (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one?
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 14068741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).