5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

C22H16ClNO2 — CID 4679336

IUPAC5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H16ClNO2/c23-17-10-11-20-18(13-17)19(22(25)24-20)12-16-8-4-5-9-21(16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyIVHRTFXXSKQSCO-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.41
Rot. Bonds4

About 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 4679336) has the molecular formula C22H16ClNO2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID4679336
Molecular FormulaC22H16ClNO2
Molecular Weight361.83 g/mol
Exact Mass361.09
IUPAC Name5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H16ClNO2/c23-17-10-11-20-18(13-17)19(22(25)24-20)12-16-8-4-5-9-21(16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyIVHRTFXXSKQSCO-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
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

5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
CID 2688434
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
5-(2-chloroethyl)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 56997589
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
(5E)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 96885241
(3E)-5-chloro-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 7947115
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4815875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (CID 4679336) is 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is IVHRTFXXSKQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2/c23-17-10-11-20-18(13-17)19(22(25)24-20)12-16-8-4-5-9-21(16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25).
What are the key properties of 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 361.83 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 4679336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).