[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C19H17NO4 — CID 2689731

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1O
InChIInChI=1S/C19H17NO4/c1-11-6-5-8-14(18(11)22)19(23)24-10-16(21)17-12(2)20-15-9-4-3-7-13(15)17/h3-9,20,22H,10H2,1-2H3
InChIKeyVUVLXCFZSUGGJD-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.53
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2689731) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2689731
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1O
InChIInChI=1S/C19H17NO4/c1-11-6-5-8-14(18(11)22)19(23)24-10-16(21)17-12(2)20-15-9-4-3-7-13(15)17/h3-9,20,22H,10H2,1-2H3
InChIKeyVUVLXCFZSUGGJD-UHFFFAOYSA-N
XLogP3.53
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mukonidine
CID 10999153
5-hydroxy-1H-indole-3-carboxylate, 10s
CID 44157482
4-Oxo Etodolac
CID 11266595
methyl 4-[2-(2-hydroxybenzoyl)oxybenzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 14962112
2-hydroxy-9-(4-(methoxymethyl)phenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16048236
methyl 2-(2-hydroxy-1H-indol-3-yl)-3-oxoindole-5-carboxylate
CID 136238979
Penindolone
CID 145337561
Clausine K
CID 504070
2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetic acid
CID 273534
methyl (2Z)-2-hydroxy-2-(2-oxo-1-phenyl-indolin-3-ylidene)acetate
CID 317174
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2367096
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2407851

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2689731) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1O.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is VUVLXCFZSUGGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-6-5-8-14(18(11)22)19(23)24-10-16(21)17-12(2)20-15-9-4-3-7-13(15)17/h3-9,20,22H,10H2,1-2H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 323.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2689731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).