(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one

C18H18NO5P — CID 23398029

IUPAC(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccc(P(=O)(OC)OC)cc1
InChIInChI=1S/C18H18NO5P/c1-22-13-6-9-15-16(18(20)19-17(15)11-13)10-12-4-7-14(8-5-12)25(21,23-2)24-3/h4-11H,1-3H3,(H,19,20)/b16-10-
InChIKeyIKSXOMWDXPVJPU-YBEGLDIGSA-N
MW359.32 g/mol
LogP3.30
Rot. Bonds5

About (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one

(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one (PubChem CID 23398029) has the molecular formula C18H18NO5P and a molecular weight of 359.32 g/mol. Its IUPAC name is (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
PubChem CID23398029
Molecular FormulaC18H18NO5P
Molecular Weight359.32 g/mol
Exact Mass359.09
IUPAC Name(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccc(P(=O)(OC)OC)cc1
InChIInChI=1S/C18H18NO5P/c1-22-13-6-9-15-16(18(20)19-17(15)11-13)10-12-4-7-14(8-5-12)25(21,23-2)24-3/h4-11H,1-3H3,(H,19,20)/b16-10-
InChIKeyIKSXOMWDXPVJPU-YBEGLDIGSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920
(3Z)-6-dimethoxyphosphoryl-3-[(2,3,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 59079675
3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 71237885
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-6-dimethoxyphosphoryl-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079639
(3E)-6-dimethoxyphosphoryl-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 23398065
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
6-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 4809559
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
5-[(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 68792464
(3E)-3-[(5-dimethylphosphoryl-1H-pyrrol-2-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 23398037

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one (CID 23398029) is (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C\c1ccc(P(=O)(OC)OC)cc1.
What is the InChIKey of (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The InChIKey is IKSXOMWDXPVJPU-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H18NO5P/c1-22-13-6-9-15-16(18(20)19-17(15)11-13)10-12-4-7-14(8-5-12)25(21,23-2)24-3/h4-11H,1-3H3,(H,19,20)/b16-10-.
What are the key properties of (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one?
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one has a molecular weight of 359.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 23398029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).