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

C17H16BrNO2 — CID 116621973

IUPAC6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole
SMILESCOc1ccccc1OCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H16BrNO2/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
InChIKeyCQRPNAIXBCUNBI-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds5

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

6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole (PubChem CID 116621973) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole.

Molecular Properties

Compound Name6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole
PubChem CID116621973
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole
SMILESCOc1ccccc1OCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H16BrNO2/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
InChIKeyCQRPNAIXBCUNBI-UHFFFAOYSA-N
XLogP4.49
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole?
The IUPAC name of 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole (CID 116621973) is 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole.
What is the SMILES notation for 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole?
The canonical SMILES for 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole is COc1ccccc1OCCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole?
The InChIKey is CQRPNAIXBCUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/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-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole?
6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole has a molecular weight of 346.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole is sourced from PubChem (CID 116621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).