(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

C23H19NO3 — CID 1224641

IUPAC(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-26-21-13-7-10-17(22(21)27-15-16-8-3-2-4-9-16)14-19-18-11-5-6-12-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-14-
InChIKeyKKFQKLFGMGJCFB-RGEXLXHISA-N
MW357.41 g/mol
LogP4.77
Rot. Bonds5

About (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 1224641) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID1224641
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-26-21-13-7-10-17(22(21)27-15-16-8-3-2-4-9-16)14-19-18-11-5-6-12-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-14-
InChIKeyKKFQKLFGMGJCFB-RGEXLXHISA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
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

(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
4-[[2-[(1,3-dioxoinden-2-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126192799
(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
CID 126124105
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
5-[[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1309874
(3Z)-3-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-1H-indol-2-one
CID 126125008
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
(4E)-4-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6188383
(5Z)-5-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069655
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 4679336
(4Z)-4-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126413859
(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (CID 1224641) is (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OCc1ccccc1.
What is the InChIKey of (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is KKFQKLFGMGJCFB-RGEXLXHISA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-21-13-7-10-17(22(21)27-15-16-8-3-2-4-9-16)14-19-18-11-5-6-12-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-14-.
What are the key properties of (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 1224641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).