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

C15H12ClNO — CID 36687956

IUPAC5-chloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C15H12ClNO/c1-18-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3
InChIKeyAZPFXZROPRQULL-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.50
Rot. Bonds2

About 5-chloro-2-(4-methoxyphenyl)-1H-indole

5-chloro-2-(4-methoxyphenyl)-1H-indole (PubChem CID 36687956) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-1H-indole
PubChem CID36687956
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-chloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C15H12ClNO/c1-18-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3
InChIKeyAZPFXZROPRQULL-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 5-chloro-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-1H-indole (CID 36687956) is 5-chloro-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is AZPFXZROPRQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-18-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3.
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-1H-indole?
5-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 5-chloro-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 36687956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).