methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate

C16H12FNO2 — CID 11777847

IUPACmethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-20-16(19)15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3
InChIKeyBUGMVIOQSYOVGC-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.76
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate

methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (PubChem CID 11777847) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate
PubChem CID11777847
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Namemethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-20-16(19)15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3
InChIKeyBUGMVIOQSYOVGC-UHFFFAOYSA-N
XLogP3.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CID 11777847) is methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate?
The InChIKey is BUGMVIOQSYOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-20-16(19)15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate?
methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 11777847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).