1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole

C17H16BrNO2 — CID 116619353

IUPAC1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
SMILESCOc1ccc2c(ccn2CCOc2cccc(Br)c2)c1
InChIInChI=1S/C17H16BrNO2/c1-20-15-5-6-17-13(11-15)7-8-19(17)9-10-21-16-4-2-3-14(18)12-16/h2-8,11-12H,9-10H2,1H3
InChIKeyHMBXXKZGTYRMFF-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds5

About 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole

1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole (PubChem CID 116619353) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
PubChem CID116619353
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
SMILESCOc1ccc2c(ccn2CCOc2cccc(Br)c2)c1
InChIInChI=1S/C17H16BrNO2/c1-20-15-5-6-17-13(11-15)7-8-19(17)9-10-21-16-4-2-3-14(18)12-16/h2-8,11-12H,9-10H2,1H3
InChIKeyHMBXXKZGTYRMFF-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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Related Compounds

5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
CID 116618781
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
[1-[2-(3-bromophenoxy)ethyl]-2-methylpyrrol-3-yl]methanamine
CID 114195969
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
6-bromo-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116621973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole (CID 116619353) is 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole is COc1ccc2c(ccn2CCOc2cccc(Br)c2)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole?
The InChIKey is HMBXXKZGTYRMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-20-15-5-6-17-13(11-15)7-8-19(17)9-10-21-16-4-2-3-14(18)12-16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole?
1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole 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 1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole is sourced from PubChem (CID 116619353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).