methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate

C16H12ClNO3 — CID 135358278

IUPACmethyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1
InChIInChI=1S/C16H12ClNO3/c1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17/h2-9,18H,1H3
InChIKeyFBUHLWQKSNYBAT-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.40
Rot. Bonds3

About methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate

methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate (PubChem CID 135358278) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
PubChem CID135358278
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Namemethyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1
InChIInChI=1S/C16H12ClNO3/c1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17/h2-9,18H,1H3
InChIKeyFBUHLWQKSNYBAT-UHFFFAOYSA-N
XLogP4.40
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate (CID 135358278) is methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate is COC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1.
What is the InChIKey of methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The InChIKey is FBUHLWQKSNYBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17/h2-9,18H,1H3.
What are the key properties of methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 135358278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).