(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one

C26H24ClNO3 — CID 126120705

IUPAC(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
SMILESCCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H24ClNO3/c1-3-28-23-12-8-6-10-20(23)21(26(28)29)15-18-13-14-24(25(16-18)30-4-2)31-17-19-9-5-7-11-22(19)27/h5-16H,3-4,17H2,1-2H3/b21-15-
InChIKeyJJJADLOGUOKRRW-QNGOZBTKSA-N
MW433.94 g/mol
LogP6.22
Rot. Bonds7

About (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one

(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one (PubChem CID 126120705) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
PubChem CID126120705
Molecular FormulaC26H24ClNO3
Molecular Weight433.94 g/mol
Exact Mass433.14
IUPAC Name(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
SMILESCCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H24ClNO3/c1-3-28-23-12-8-6-10-20(23)21(26(28)29)15-18-13-14-24(25(16-18)30-4-2)31-17-19-9-5-7-11-22(19)27/h5-16H,3-4,17H2,1-2H3/b21-15-
InChIKeyJJJADLOGUOKRRW-QNGOZBTKSA-N
XLogP6.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-propylindol-2-one
CID 126124331
(3Z)-3-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126117656
(3Z)-1-ethyl-3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]indol-2-one
CID 126121868
5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50884524
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377701
(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126119921
(5E)-1-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6149520
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-4-methyl-2,6-dioxo-1-pentylpyridine-3-carbonitrile
CID 19110077
(3Z)-3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-propylindol-2-one
CID 126126074
(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one
CID 126119197
2-[[4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile
CID 3982945
(3Z)-3-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126122201

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one (CID 126120705) is (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one is CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1Cl.
What is the InChIKey of (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one?
The InChIKey is JJJADLOGUOKRRW-QNGOZBTKSA-N. The full InChI is InChI=1S/C26H24ClNO3/c1-3-28-23-12-8-6-10-20(23)21(26(28)29)15-18-13-14-24(25(16-18)30-4-2)31-17-19-9-5-7-11-22(19)27/h5-16H,3-4,17H2,1-2H3/b21-15-.
What are the key properties of (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one?
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one has a molecular weight of 433.94 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126120705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).