methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate

C17H14FNO3 — CID 178035446

IUPACmethyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1ccn2-c1ccc(F)c(OC)c1
InChIInChI=1S/C17H14FNO3/c1-21-16-10-11(6-7-14(16)18)19-9-8-12-13(17(20)22-2)4-3-5-15(12)19/h3-10H,1-2H3
InChIKeyZJNAJEZTRCISKW-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.56
Rot. Bonds3

About methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate

methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate (PubChem CID 178035446) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
PubChem CID178035446
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1ccn2-c1ccc(F)c(OC)c1
InChIInChI=1S/C17H14FNO3/c1-21-16-10-11(6-7-14(16)18)19-9-8-12-13(17(20)22-2)4-3-5-15(12)19/h3-10H,1-2H3
InChIKeyZJNAJEZTRCISKW-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-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

methyl 1-(3-ethoxy-5-fluorophenyl)indole-4-carboxylate
CID 178035470
1-(4-fluoro-3-methoxyphenyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 178035443
methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
CID 178035422
1-(3-propoxyphenyl)indole-4-carboxylic acid
CID 178035433
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
methyl 1-(ethoxymethyl)indole-4-carboxylate
CID 67468002
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
CID 178035448
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]indole-4-carboxylate
CID 129068902
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate?
The IUPAC name of methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate (CID 178035446) is methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate is COC(=O)c1cccc2c1ccn2-c1ccc(F)c(OC)c1.
What is the InChIKey of methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate?
The InChIKey is ZJNAJEZTRCISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-16-10-11(6-7-14(16)18)19-9-8-12-13(17(20)22-2)4-3-5-15(12)19/h3-10H,1-2H3.
What are the key properties of methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate?
methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate is sourced from PubChem (CID 178035446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).