2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate

C17H14FNO3 — CID 7713495

IUPAC2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14FNO3/c18-13-5-7-14(8-6-13)21-9-10-22-17(20)16-11-12-3-1-2-4-15(12)19-16/h1-8,11,19H,9-10H2
InChIKeyAHYJREUDXPJMKJ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate

2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate (PubChem CID 7713495) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
PubChem CID7713495
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14FNO3/c18-13-5-7-14(8-6-13)21-9-10-22-17(20)16-11-12-3-1-2-4-15(12)19-16/h1-8,11,19H,9-10H2
InChIKeyAHYJREUDXPJMKJ-UHFFFAOYSA-N
XLogP3.54
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 1H-indole-2-carboxylate
CID 54052397
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-nitroethyl 1H-indole-2-carboxylate
CID 142793675
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
pyridin-2-ylmethyl 1H-indole-2-carboxylate
CID 46558412
chloro 1H-indole-2-carboxylate
CID 68813525
2-(4-fluorophenoxy)ethyl 2-amino-4-fluorobenzoate
CID 30764854
methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
CID 18928558
2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride
CID 57340224
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
1H-indole-2-carbothioic S-acid
CID 4713092

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate (CID 7713495) is 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate is O=C(OCCOc1ccc(F)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate?
The InChIKey is AHYJREUDXPJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-13-5-7-14(8-6-13)21-9-10-22-17(20)16-11-12-3-1-2-4-15(12)19-16/h1-8,11,19H,9-10H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate?
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate is sourced from PubChem (CID 7713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).