(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one

C18H15NO7 — CID 47021523

IUPAC(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)CO2
InChIInChI=1S/C18H15NO7/c1-24-12-3-4-15-13(8-12)17(20)11(9-26-15)5-10-6-14(19(22)23)18(21)16(7-10)25-2/h3-8,21H,9H2,1-2H3/b11-5-
InChIKeyMBZLJWYONYDQIT-WZUFQYTHSA-N
MW357.32 g/mol
LogP2.98
Rot. Bonds4

About (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one

(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one (PubChem CID 47021523) has the molecular formula C18H15NO7 and a molecular weight of 357.32 g/mol. Its IUPAC name is (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one
PubChem CID47021523
Molecular FormulaC18H15NO7
Molecular Weight357.32 g/mol
Exact Mass357.08
IUPAC Name(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)CO2
InChIInChI=1S/C18H15NO7/c1-24-12-3-4-15-13(8-12)17(20)11(9-26-15)5-10-6-14(19(22)23)18(21)16(7-10)25-2/h3-8,21H,9H2,1-2H3/b11-5-
InChIKeyMBZLJWYONYDQIT-WZUFQYTHSA-N
XLogP2.98
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
(3E)-6-methoxy-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
CID 24662432
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(3Z)-3-[(4,5-dimethoxy-2-nitrophenyl)methylidene]chromen-4-one
CID 6214659
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one
CID 5222560
6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 54513689
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 17391466
(3E)-6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 67592232

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one?
The IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one (CID 47021523) is (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one.
What is the SMILES notation for (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one?
The canonical SMILES for (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one is COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)CO2.
What is the InChIKey of (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one?
The InChIKey is MBZLJWYONYDQIT-WZUFQYTHSA-N. The full InChI is InChI=1S/C18H15NO7/c1-24-12-3-4-15-13(8-12)17(20)11(9-26-15)5-10-6-14(19(22)23)18(21)16(7-10)25-2/h3-8,21H,9H2,1-2H3/b11-5-.
What are the key properties of (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one?
(3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one has a molecular weight of 357.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methoxychromen-4-one is sourced from PubChem (CID 47021523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).