5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one

C15H11Cl2NO2 — CID 155552050

IUPAC5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H11Cl2NO2/c16-12-3-1-9(5-13(12)17)8-20-11-2-4-14-10(6-11)7-15(19)18-14/h1-6H,7-8H2,(H,18,19)
InChIKeyZWPPLIGPPCMGHT-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.07
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one

5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one (PubChem CID 155552050) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one
PubChem CID155552050
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H11Cl2NO2/c16-12-3-1-9(5-13(12)17)8-20-11-2-4-14-10(6-11)7-15(19)18-14/h1-6H,7-8H2,(H,18,19)
InChIKeyZWPPLIGPPCMGHT-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one (CID 155552050) is 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one is O=C1Cc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2N1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one?
The InChIKey is ZWPPLIGPPCMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-12-3-1-9(5-13(12)17)8-20-11-2-4-14-10(6-11)7-15(19)18-14/h1-6H,7-8H2,(H,18,19).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one?
5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one has a molecular weight of 308.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 155552050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).