5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one

C17H16ClNO2 — CID 155517932

IUPAC5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H16ClNO2/c1-17(2)14-9-13(6-7-15(14)19-16(17)20)21-10-11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyAYXLZJQILDNDIA-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.15
Rot. Bonds3

About 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one

5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one (PubChem CID 155517932) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
PubChem CID155517932
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H16ClNO2/c1-17(2)14-9-13(6-7-15(14)19-16(17)20)21-10-11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyAYXLZJQILDNDIA-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one (CID 155517932) is 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc21.
What is the InChIKey of 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is AYXLZJQILDNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-17(2)14-9-13(6-7-15(14)19-16(17)20)21-10-11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 301.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 155517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).