(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one

C26H24ClNO2 — CID 126126405

IUPAC(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21
InChIInChI=1S/C26H24ClNO2/c1-18(2)16-28-25-6-4-3-5-23(25)24(26(28)29)15-19-9-13-22(14-10-19)30-17-20-7-11-21(27)12-8-20/h3-15,18H,16-17H2,1-2H3/b24-15-
InChIKeyXYDXCKZRZIQOIG-IWIPYMOSSA-N
MW417.94 g/mol
LogP6.46
Rot. Bonds6

About (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one

(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one (PubChem CID 126126405) has the molecular formula C26H24ClNO2 and a molecular weight of 417.94 g/mol. Its IUPAC name is (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
PubChem CID126126405
Molecular FormulaC26H24ClNO2
Molecular Weight417.94 g/mol
Exact Mass417.15
IUPAC Name(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21
InChIInChI=1S/C26H24ClNO2/c1-18(2)16-28-25-6-4-3-5-23(25)24(26(28)29)15-19-9-13-22(14-10-19)30-17-20-7-11-21(27)12-8-20/h3-15,18H,16-17H2,1-2H3/b24-15-
InChIKeyXYDXCKZRZIQOIG-IWIPYMOSSA-N
XLogP6.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128601
(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-methyl-1-(2-methylpropyl)-2,6-dioxopyridine-3-carbonitrile
CID 19110631
(3Z)-3-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126122985
(3Z)-3-[[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126117128
(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126119921
(3Z)-3-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126125228
(3Z)-3-[[3-chloro-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126238
(3Z)-3-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126122608
methyl 4-[[4-[(E)-(1-methyl-2-oxoindol-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 7972073
(3Z)-3-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126121163
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one (CID 126126405) is (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one?
The InChIKey is XYDXCKZRZIQOIG-IWIPYMOSSA-N. The full InChI is InChI=1S/C26H24ClNO2/c1-18(2)16-28-25-6-4-3-5-23(25)24(26(28)29)15-19-9-13-22(14-10-19)30-17-20-7-11-21(27)12-8-20/h3-15,18H,16-17H2,1-2H3/b24-15-.
What are the key properties of (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one?
(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one has a molecular weight of 417.94 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 126126405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).