(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one

C19H18O5 — CID 6857791

IUPAC(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
SMILESCOc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C19H18O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8-
InChIKeyYKRAQIAZPKGEIC-JYRVWZFOSA-N
MW326.35 g/mol
LogP3.37
Rot. Bonds4

About (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one (PubChem CID 6857791) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
PubChem CID6857791
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
SMILESCOc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C19H18O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8-
InChIKeyYKRAQIAZPKGEIC-JYRVWZFOSA-N
XLogP3.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(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
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
(3E)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]chromen-4-one
CID 8861986
(3E)-7-methoxy-3-(1H-pyrrol-2-ylmethylidene)chromen-4-one
CID 54753315
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxychromen-4-one
CID 162679170
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
(3E)-6-methoxy-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
CID 24662432
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
CID 10550673
(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one
CID 47021523

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one?
The IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one (CID 6857791) is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one.
What is the SMILES notation for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one?
The canonical SMILES for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one is COc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O.
What is the InChIKey of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one?
The InChIKey is YKRAQIAZPKGEIC-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H18O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8-.
What are the key properties of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one?
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one is sourced from PubChem (CID 6857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).