(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one

C23H18O4 — CID 70356611

IUPAC(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3cccc(O)c3C(=O)/C2=C/c2ccccc2)cc1
InChIInChI=1S/C23H18O4/c1-26-17-12-10-16(11-13-17)23-18(14-15-6-3-2-4-7-15)22(25)21-19(24)8-5-9-20(21)27-23/h2-14,23-24H,1H3/b18-14-
InChIKeyUKWHISLZZOSINU-JXAWBTAJSA-N
MW358.39 g/mol
LogP4.80
Rot. Bonds3

About (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one

(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 70356611) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID70356611
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3cccc(O)c3C(=O)/C2=C/c2ccccc2)cc1
InChIInChI=1S/C23H18O4/c1-26-17-12-10-16(11-13-17)23-18(14-15-6-3-2-4-7-15)22(25)21-19(24)8-5-9-20(21)27-23/h2-14,23-24H,1H3/b18-14-
InChIKeyUKWHISLZZOSINU-JXAWBTAJSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one (CID 70356611) is (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(C2Oc3cccc(O)c3C(=O)/C2=C/c2ccccc2)cc1.
What is the InChIKey of (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is UKWHISLZZOSINU-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H18O4/c1-26-17-12-10-16(11-13-17)23-18(14-15-6-3-2-4-7-15)22(25)21-19(24)8-5-9-20(21)27-23/h2-14,23-24H,1H3/b18-14-.
What are the key properties of (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one?
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 358.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 70356611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).