(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one

C18H16O4 — CID 134113942

IUPAC(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
SMILESCOc1ccc(/C=C2\C(=O)c3ccc(O)cc3OC2C)cc1
InChIInChI=1S/C18H16O4/c1-11-16(9-12-3-6-14(21-2)7-4-12)18(20)15-8-5-13(19)10-17(15)22-11/h3-11,19H,1-2H3/b16-9-
InChIKeyGUTHJKLMWKFNSZ-SXGWCWSVSA-N
MW296.32 g/mol
LogP3.45
Rot. Bonds2

About (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one

(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one (PubChem CID 134113942) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one.

Molecular Properties

Compound Name(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
PubChem CID134113942
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
SMILESCOc1ccc(/C=C2\C(=O)c3ccc(O)cc3OC2C)cc1
InChIInChI=1S/C18H16O4/c1-11-16(9-12-3-6-14(21-2)7-4-12)18(20)15-8-5-13(19)10-17(15)22-11/h3-11,19H,1-2H3/b16-9-
InChIKeyGUTHJKLMWKFNSZ-SXGWCWSVSA-N
XLogP3.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.45
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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Related Compounds

6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54273981
(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
CID 135053019
6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54028783
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54469288
N-[3-[6-hydroxy-3-[(4-methoxyphenyl)methylidene]-4-oxochromen-2-yl]phenyl]acetamide
CID 54417166
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
CID 102208245
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 70356611
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
CID 908051
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one?
The IUPAC name of (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one (CID 134113942) is (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one.
What is the SMILES notation for (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one?
The canonical SMILES for (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one is COc1ccc(/C=C2\C(=O)c3ccc(O)cc3OC2C)cc1.
What is the InChIKey of (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one?
The InChIKey is GUTHJKLMWKFNSZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-16(9-12-3-6-14(21-2)7-4-12)18(20)15-8-5-13(19)10-17(15)22-11/h3-11,19H,1-2H3/b16-9-.
What are the key properties of (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one?
(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one is sourced from PubChem (CID 134113942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).