1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one

C20H23NO2 — CID 82172314

IUPAC1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCCC1C(=O)N(CC)c2ccc(C(O)c3ccc(C)cc3)cc21
InChIInChI=1S/C20H23NO2/c1-4-16-17-12-15(10-11-18(17)21(5-2)20(16)23)19(22)14-8-6-13(3)7-9-14/h6-12,16,19,22H,4-5H2,1-3H3
InChIKeyXEGYMYHBFIRKRP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.94
Rot. Bonds4

About 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one

1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 82172314) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
PubChem CID82172314
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCCC1C(=O)N(CC)c2ccc(C(O)c3ccc(C)cc3)cc21
InChIInChI=1S/C20H23NO2/c1-4-16-17-12-15(10-11-18(17)21(5-2)20(16)23)19(22)14-8-6-13(3)7-9-14/h6-12,16,19,22H,4-5H2,1-3H3
InChIKeyXEGYMYHBFIRKRP-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one (CID 82172314) is 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one is CCC1C(=O)N(CC)c2ccc(C(O)c3ccc(C)cc3)cc21.
What is the InChIKey of 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is XEGYMYHBFIRKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-16-17-12-15(10-11-18(17)21(5-2)20(16)23)19(22)14-8-6-13(3)7-9-14/h6-12,16,19,22H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 82172314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).