4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid

C19H19NO6 — CID 139537897

IUPAC4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C19H19NO6/c21-8-9-26-19(25)16-10-14-15(2-1-3-17(14)22)20(16)11-12-4-6-13(7-5-12)18(23)24/h4-7,10,21H,1-3,8-9,11H2,(H,23,24)
InChIKeyQKZARKNNZUAKTO-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.90
Rot. Bonds6

About 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid

4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid (PubChem CID 139537897) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid
PubChem CID139537897
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C19H19NO6/c21-8-9-26-19(25)16-10-14-15(2-1-3-17(14)22)20(16)11-12-4-6-13(7-5-12)18(23)24/h4-7,10,21H,1-3,8-9,11H2,(H,23,24)
InChIKeyQKZARKNNZUAKTO-UHFFFAOYSA-N
XLogP1.90
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
CID 139547915
1-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylic acid
CID 150406846
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
CID 67519958
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108927
methyl 4-[(7-oxo-5,6-dihydro-4H-isoindol-2-yl)methyl]benzoate
CID 83207496
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
ethyl 4-acetyl-5-[(1-benzyl-4-oxo-6,7-dihydro-5H-indol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 10717602
methyl 1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindole-2-carboxylate
CID 58306956
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087
2-hydroxyethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate
CID 20515996

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid (CID 139537897) is 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1.
What is the InChIKey of 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid?
The InChIKey is QKZARKNNZUAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c21-8-9-26-19(25)16-10-14-15(2-1-3-17(14)22)20(16)11-12-4-6-13(7-5-12)18(23)24/h4-7,10,21H,1-3,8-9,11H2,(H,23,24).
What are the key properties of 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid?
4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid has a molecular weight of 357.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 139537897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).