2-hydroxyethyl 1-phenacylindole-2-carboxylate

C19H17NO4 — CID 6489282

IUPAC2-hydroxyethyl 1-phenacylindole-2-carboxylate
SMILESO=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-10-11-24-19(23)17-12-15-8-4-5-9-16(15)20(17)13-18(22)14-6-2-1-3-7-14/h1-9,12,21H,10-11,13H2
InChIKeyFGOPQVXKIVEYQN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.67
Rot. Bonds6

About 2-hydroxyethyl 1-phenacylindole-2-carboxylate

2-hydroxyethyl 1-phenacylindole-2-carboxylate (PubChem CID 6489282) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-hydroxyethyl 1-phenacylindole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-phenacylindole-2-carboxylate
PubChem CID6489282
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-hydroxyethyl 1-phenacylindole-2-carboxylate
SMILESO=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-10-11-24-19(23)17-12-15-8-4-5-9-16(15)20(17)13-18(22)14-6-2-1-3-7-14/h1-9,12,21H,10-11,13H2
InChIKeyFGOPQVXKIVEYQN-UHFFFAOYSA-N
XLogP2.67
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-phenacylindole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-phenacylindole-2-carboxylate (CID 6489282) is 2-hydroxyethyl 1-phenacylindole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-phenacylindole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-phenacylindole-2-carboxylate is O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl 1-phenacylindole-2-carboxylate?
The InChIKey is FGOPQVXKIVEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-10-11-24-19(23)17-12-15-8-4-5-9-16(15)20(17)13-18(22)14-6-2-1-3-7-14/h1-9,12,21H,10-11,13H2.
What are the key properties of 2-hydroxyethyl 1-phenacylindole-2-carboxylate?
2-hydroxyethyl 1-phenacylindole-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-phenacylindole-2-carboxylate is sourced from PubChem (CID 6489282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).