2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate

C20H19NO4 — CID 6489283

IUPAC2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate
SMILESCc1ccc(C(=O)Cn2c(C(=O)OCCO)cc3ccccc32)cc1
InChIInChI=1S/C20H19NO4/c1-14-6-8-15(9-7-14)19(23)13-21-17-5-3-2-4-16(17)12-18(21)20(24)25-11-10-22/h2-9,12,22H,10-11,13H2,1H3
InChIKeyNLKRHAQFJXNVIZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.98
Rot. Bonds6

About 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate

2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate (PubChem CID 6489283) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate
PubChem CID6489283
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate
SMILESCc1ccc(C(=O)Cn2c(C(=O)OCCO)cc3ccccc32)cc1
InChIInChI=1S/C20H19NO4/c1-14-6-8-15(9-7-14)19(23)13-21-17-5-3-2-4-16(17)12-18(21)20(24)25-11-10-22/h2-9,12,22H,10-11,13H2,1H3
InChIKeyNLKRHAQFJXNVIZ-UHFFFAOYSA-N
XLogP2.98
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate (CID 6489283) is 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate is Cc1ccc(C(=O)Cn2c(C(=O)OCCO)cc3ccccc32)cc1.
What is the InChIKey of 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate?
The InChIKey is NLKRHAQFJXNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-6-8-15(9-7-14)19(23)13-21-17-5-3-2-4-16(17)12-18(21)20(24)25-11-10-22/h2-9,12,22H,10-11,13H2,1H3.
What are the key properties of 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate?
2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylate is sourced from PubChem (CID 6489283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).