3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one

C16H15NO3 — CID 3778448

IUPAC3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
SMILESCc1cc(O)c(C2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C16H15NO3/c1-9-7-12(14(18)8-10(9)2)16(20)11-5-3-4-6-13(11)17-15(16)19/h3-8,18,20H,1-2H3,(H,17,19)
InChIKeyNZGBMTZPRVTYDJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.20
Rot. Bonds1

About 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one

3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one (PubChem CID 3778448) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
PubChem CID3778448
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
SMILESCc1cc(O)c(C2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C16H15NO3/c1-9-7-12(14(18)8-10(9)2)16(20)11-5-3-4-6-13(11)17-15(16)19/h3-8,18,20H,1-2H3,(H,17,19)
InChIKeyNZGBMTZPRVTYDJ-UHFFFAOYSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one (CID 3778448) is 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one is Cc1cc(O)c(C2(O)C(=O)Nc3ccccc32)cc1C.
What is the InChIKey of 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The InChIKey is NZGBMTZPRVTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-9-7-12(14(18)8-10(9)2)16(20)11-5-3-4-6-13(11)17-15(16)19/h3-8,18,20H,1-2H3,(H,17,19).
What are the key properties of 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one is sourced from PubChem (CID 3778448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).