[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol

C17H16BrNO2 — CID 66399919

IUPAC[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
SMILESOCc1cn(CCOc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H16BrNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11,20H,9-10,12H2
InChIKeyDBVFLBXGOYGUPY-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.98
Rot. Bonds5

About [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol

[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol (PubChem CID 66399919) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
PubChem CID66399919
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
SMILESOCc1cn(CCOc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H16BrNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11,20H,9-10,12H2
InChIKeyDBVFLBXGOYGUPY-UHFFFAOYSA-N
XLogP3.98
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1367798
(5E)-2-amino-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1,3-thiazol-4-one
CID 2278335
2-amino-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1,3-thiazol-4-one
CID 5186389
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
5-bromo-1-(2-phenoxyethyl)indole-3-carbaldehyde
CID 951743
(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 40501058
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole
CID 163442021
3-[5-bromo-3-(hydroxymethyl)indol-1-yl]propanoic acid
CID 83971027
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
CID 66398666

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol (CID 66399919) is [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol is OCc1cn(CCOc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol?
The InChIKey is DBVFLBXGOYGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-14-5-7-15(8-6-14)21-10-9-19-11-13(12-20)16-3-1-2-4-17(16)19/h1-8,11,20H,9-10,12H2.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol?
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol has a molecular weight of 346.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol is sourced from PubChem (CID 66399919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).