(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

C18H16O4 — CID 6444482

IUPAC(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccc(/C=C2/COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9-
InChIKeyJSIHERQFDBWWJU-LCYFTJDESA-N
MW296.32 g/mol
LogP3.36
Rot. Bonds3

About (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one (PubChem CID 6444482) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
PubChem CID6444482
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccc(/C=C2/COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9-
InChIKeyJSIHERQFDBWWJU-LCYFTJDESA-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

(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(3E)-7-methoxy-3-(1H-pyrrol-2-ylmethylidene)chromen-4-one
CID 54753315
(3E)-6-methoxy-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
CID 24662432
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
CID 24987392
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 24662437
6-methoxy-1-benzofuran-3-one
CID 585368
3-[(4-phenoxyphenyl)methylidene]chromen-4-one
CID 4029259
(3E)-6-methoxy-3-[(1-phenylpyrazol-4-yl)methylidene]chromen-4-one
CID 31765869
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
CID 53315284

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one (CID 6444482) is (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one is COc1ccc(/C=C2/COc3cc(OC)ccc3C2=O)cc1.
What is the InChIKey of (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
The InChIKey is JSIHERQFDBWWJU-LCYFTJDESA-N. The full InChI is InChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9-.
What are the key properties of (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one?
(3Z)-7-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 (3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 6444482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).