4-chloro-1-(4-methoxyphenyl)indole

C15H12ClNO — CID 138969832

IUPAC4-chloro-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3c(Cl)cccc32)cc1
InChIInChI=1S/C15H12ClNO/c1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3
InChIKeyFTADXOLPNZQEEU-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-1-(4-methoxyphenyl)indole

4-chloro-1-(4-methoxyphenyl)indole (PubChem CID 138969832) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-1-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name4-chloro-1-(4-methoxyphenyl)indole
PubChem CID138969832
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name4-chloro-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3c(Cl)cccc32)cc1
InChIInChI=1S/C15H12ClNO/c1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3
InChIKeyFTADXOLPNZQEEU-UHFFFAOYSA-N
XLogP4.29
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methoxyphenyl)indole?
The IUPAC name of 4-chloro-1-(4-methoxyphenyl)indole (CID 138969832) is 4-chloro-1-(4-methoxyphenyl)indole.
What is the SMILES notation for 4-chloro-1-(4-methoxyphenyl)indole?
The canonical SMILES for 4-chloro-1-(4-methoxyphenyl)indole is COc1ccc(-n2ccc3c(Cl)cccc32)cc1.
What is the InChIKey of 4-chloro-1-(4-methoxyphenyl)indole?
The InChIKey is FTADXOLPNZQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3.
What are the key properties of 4-chloro-1-(4-methoxyphenyl)indole?
4-chloro-1-(4-methoxyphenyl)indole has a molecular weight of 257.72 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methoxyphenyl)indole is sourced from PubChem (CID 138969832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).