3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one

C18H19NO2 — CID 155535371

IUPAC3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one
SMILESCc1ccc(COc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C18H19NO2/c1-12-4-6-13(7-5-12)11-21-14-8-9-16-15(10-14)18(2,3)17(20)19-16/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyOZAIVLRTPLHTGR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.80
Rot. Bonds3

About 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one

3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one (PubChem CID 155535371) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one
PubChem CID155535371
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one
SMILESCc1ccc(COc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C18H19NO2/c1-12-4-6-13(7-5-12)11-21-14-8-9-16-15(10-14)18(2,3)17(20)19-16/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyOZAIVLRTPLHTGR-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one (CID 155535371) is 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one is Cc1ccc(COc2ccc3c(c2)C(C)(C)C(=O)N3)cc1.
What is the InChIKey of 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one?
The InChIKey is OZAIVLRTPLHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-4-6-13(7-5-12)11-21-14-8-9-16-15(10-14)18(2,3)17(20)19-16/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one?
3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(4-methylphenyl)methoxy]-1H-indol-2-one is sourced from PubChem (CID 155535371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).