(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

C18H16O4 — CID 6449188

IUPAC(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-8-7-15(21-2)10-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+
InChIKeyPQPWBDKMCIKMHS-UKTHLTGXSA-N
MW296.32 g/mol
LogP3.36
Rot. Bonds3

About (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one (PubChem CID 6449188) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
PubChem CID6449188
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-8-7-15(21-2)10-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+
InChIKeyPQPWBDKMCIKMHS-UKTHLTGXSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Flavanone
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Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
3',4'-Dimethoxyflavone
CID 688674
Sinensetin
CID 145659
6-Hydroxyflavone
CID 72279
4'-Methoxyflavone
CID 77793
5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CID 442583

Frequently Asked Questions

What is the IUPAC name of (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one (CID 6449188) is (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one is COc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The InChIKey is PQPWBDKMCIKMHS-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-8-7-15(21-2)10-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+.
What are the key properties of (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 6449188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).