7-chloro-2-(4-methoxyphenyl)-1H-indole

C15H12ClNO — CID 131886896

IUPAC7-chloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H12ClNO/c1-18-12-7-5-10(6-8-12)14-9-11-3-2-4-13(16)15(11)17-14/h2-9,17H,1H3
InChIKeyKVFDICNFGRYNOZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.50
Rot. Bonds2

About 7-chloro-2-(4-methoxyphenyl)-1H-indole

7-chloro-2-(4-methoxyphenyl)-1H-indole (PubChem CID 131886896) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name7-chloro-2-(4-methoxyphenyl)-1H-indole
PubChem CID131886896
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name7-chloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H12ClNO/c1-18-12-7-5-10(6-8-12)14-9-11-3-2-4-13(16)15(11)17-14/h2-9,17H,1H3
InChIKeyKVFDICNFGRYNOZ-UHFFFAOYSA-N
XLogP4.50
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1H-indole (CID 131886896) is 7-chloro-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 7-chloro-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 7-chloro-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3cccc(Cl)c3[nH]2)cc1.
What is the InChIKey of 7-chloro-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is KVFDICNFGRYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-18-12-7-5-10(6-8-12)14-9-11-3-2-4-13(16)15(11)17-14/h2-9,17H,1H3.
What are the key properties of 7-chloro-2-(4-methoxyphenyl)-1H-indole?
7-chloro-2-(4-methoxyphenyl)-1H-indole has a molecular weight of 257.72 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 131886896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).