2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol

C11H12BrNO2 — CID 154728003

IUPAC2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1cc(Br)cc2[nH]cc(CCO)c12
InChIInChI=1S/C11H12BrNO2/c1-15-10-5-8(12)4-9-11(10)7(2-3-14)6-13-9/h4-6,13-14H,2-3H2,1H3
InChIKeyWTIXYZGURMADIB-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.47
Rot. Bonds3

About 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol

2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol (PubChem CID 154728003) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol
PubChem CID154728003
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1cc(Br)cc2[nH]cc(CCO)c12
InChIInChI=1S/C11H12BrNO2/c1-15-10-5-8(12)4-9-11(10)7(2-3-14)6-13-9/h4-6,13-14H,2-3H2,1H3
InChIKeyWTIXYZGURMADIB-UHFFFAOYSA-N
XLogP2.47
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
methyl 3,6-dibromo-1H-indole-4-carboxylate
CID 126970229
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
2-[4-methoxy-6-(2,4,6-trichlorophenyl)-1H-indol-3-yl]acetonitrile
CID 118821897
dimethyl-[2-[4-(3,4,5-trimethoxybenzoyl)oxy-1H-indol-3-yl]ethyl]azanium
CID 176800442
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol (CID 154728003) is 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol is COc1cc(Br)cc2[nH]cc(CCO)c12.
What is the InChIKey of 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol?
The InChIKey is WTIXYZGURMADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10-5-8(12)4-9-11(10)7(2-3-14)6-13-9/h4-6,13-14H,2-3H2,1H3.
What are the key properties of 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol?
2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol has a molecular weight of 270.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-methoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 154728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).