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

C25H22O4 — CID 135053019

IUPAC(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
SMILESCOc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22O4/c1-16-4-13-21-23(14-16)29-25(18-7-11-20(28-3)12-8-18)22(24(21)26)15-17-5-9-19(27-2)10-6-17/h4-15,25H,1-3H3/b22-15-
InChIKeyMEYTXYTZKFWOCL-JCMHNJIXSA-N
MW386.45 g/mol
LogP5.41
Rot. Bonds4

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

(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one (PubChem CID 135053019) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one.

Molecular Properties

Compound Name(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
PubChem CID135053019
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
SMILESCOc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22O4/c1-16-4-13-21-23(14-16)29-25(18-7-11-20(28-3)12-8-18)22(24(21)26)15-17-5-9-19(27-2)10-6-17/h4-15,25H,1-3H3/b22-15-
InChIKeyMEYTXYTZKFWOCL-JCMHNJIXSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.41
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)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one
CID 135053126
6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54273981
6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54028783
(3E)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]-6-methylchromen-4-one
CID 175408655
6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54469288
(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
CID 134113942
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 70356611
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
N-[3-[6-hydroxy-3-[(4-methoxyphenyl)methylidene]-4-oxochromen-2-yl]phenyl]acetamide
CID 54417166
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
(6E)-7-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-3-methylfuro[3,2-g]chromen-5-one
CID 25148151
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506

Frequently Asked Questions

What is the IUPAC name of (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one?
The IUPAC name of (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one (CID 135053019) is (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one.
What is the SMILES notation for (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one?
The canonical SMILES for (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one is COc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one?
The InChIKey is MEYTXYTZKFWOCL-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H22O4/c1-16-4-13-21-23(14-16)29-25(18-7-11-20(28-3)12-8-18)22(24(21)26)15-17-5-9-19(27-2)10-6-17/h4-15,25H,1-3H3/b22-15-.
What are the key properties of (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one?
(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one has a molecular weight of 386.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one is sourced from PubChem (CID 135053019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).