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

C18H19NO2 — CID 82172057

IUPAC1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19NO2/c1-3-19-16-9-8-14(10-15(16)11-17(19)20)18(21)13-6-4-12(2)5-7-13/h4-10,18,21H,3,11H2,1-2H3
InChIKeyWCKLHURCUCMLCU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.99
Rot. Bonds3

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

1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 82172057) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
PubChem CID82172057
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19NO2/c1-3-19-16-9-8-14(10-15(16)11-17(19)20)18(21)13-6-4-12(2)5-7-13/h4-10,18,21H,3,11H2,1-2H3
InChIKeyWCKLHURCUCMLCU-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one (CID 82172057) is 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one is CCN1C(=O)Cc2cc(C(O)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is WCKLHURCUCMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19-16-9-8-14(10-15(16)11-17(19)20)18(21)13-6-4-12(2)5-7-13/h4-10,18,21H,3,11H2,1-2H3.
What are the key properties of 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one?
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 82172057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).