6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole

C17H16ClNO2 — CID 116620601

IUPAC6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
SMILESCOc1ccccc1OCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-20-16-4-2-3-5-17(16)21-11-10-19-9-8-13-6-7-14(18)12-15(13)19/h2-9,12H,10-11H2,1H3
InChIKeyNQOSASNNCYMCID-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.38
Rot. Bonds5

About 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole

6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole (PubChem CID 116620601) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole.

Molecular Properties

Compound Name6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
PubChem CID116620601
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
SMILESCOc1ccccc1OCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-20-16-4-2-3-5-17(16)21-11-10-19-9-8-13-6-7-14(18)12-15(13)19/h2-9,12H,10-11H2,1H3
InChIKeyNQOSASNNCYMCID-UHFFFAOYSA-N
XLogP4.38
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116621973
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 114652751
1-butyl-6-chloroindole
CID 67583801
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
6-chloro-1-(2-pyridin-2-ylethyl)indole
CID 116620589
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62562539
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
CID 87266182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole?
The IUPAC name of 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole (CID 116620601) is 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole.
What is the SMILES notation for 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole?
The canonical SMILES for 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole is COc1ccccc1OCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole?
The InChIKey is NQOSASNNCYMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-20-16-4-2-3-5-17(16)21-11-10-19-9-8-13-6-7-14(18)12-15(13)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole?
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole has a molecular weight of 301.77 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole is sourced from PubChem (CID 116620601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).