[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate

C18H17NO4 — CID 4193807

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4/c1-12-10-14-4-2-3-5-16(14)19(12)17(21)11-23-18(22)13-6-8-15(20)9-7-13/h2-9,12,20H,10-11H2,1H3
InChIKeyGSYXLCXOMZCSGW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.53
Rot. Bonds3

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 4193807) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID4193807
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4/c1-12-10-14-4-2-3-5-16(14)19(12)17(21)11-23-18(22)13-6-8-15(20)9-7-13/h2-9,12,20H,10-11H2,1H3
InChIKeyGSYXLCXOMZCSGW-UHFFFAOYSA-N
XLogP2.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-hydroxybenzoate
CID 2418407
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3,4-dihydroxybenzoate
CID 2496862
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-hydroxybenzoate
CID 3647398
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 6213456
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855158
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 7990673
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 24980371
methyl (E)-3-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-5-yl]prop-2-enoate
CID 73212527
2-Oxo-2-(phenylamino)ethyl 4-hydroxybenzoate
CID 883542
[2-[Ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate
CID 2426307

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate (CID 4193807) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate is CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is GSYXLCXOMZCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-10-14-4-2-3-5-16(14)19(12)17(21)11-23-18(22)13-6-8-15(20)9-7-13/h2-9,12,20H,10-11H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 311.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 4193807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).