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

C16H12ClNO2 — CID 70154233

IUPACmethyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)14-12-4-2-3-5-13(12)18-15(14)10-6-8-11(17)9-7-10/h2-9,18H,1H3
InChIKeyRTBNSGKKOMOXRX-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.27
Rot. Bonds2

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

methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate (PubChem CID 70154233) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate
PubChem CID70154233
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Namemethyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)14-12-4-2-3-5-13(12)18-15(14)10-6-8-11(17)9-7-10/h2-9,18H,1H3
InChIKeyRTBNSGKKOMOXRX-UHFFFAOYSA-N
XLogP4.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate (CID 70154233) is methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate is COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate?
The InChIKey is RTBNSGKKOMOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-16(19)14-12-4-2-3-5-13(12)18-15(14)10-6-8-11(17)9-7-10/h2-9,18H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate?
methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 70154233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).