3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol

C10H12BrNO2 — CID 156851078

IUPAC3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCOc1c(Br)cnc2c1CCCC2O
InChIInChI=1S/C10H12BrNO2/c1-14-10-6-3-2-4-8(13)9(6)12-5-7(10)11/h5,8,13H,2-4H2,1H3
InChIKeyZOCZZGJINLQXLX-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.22
Rot. Bonds1

About 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol

3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 156851078) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID156851078
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCOc1c(Br)cnc2c1CCCC2O
InChIInChI=1S/C10H12BrNO2/c1-14-10-6-3-2-4-8(13)9(6)12-5-7(10)11/h5,8,13H,2-4H2,1H3
InChIKeyZOCZZGJINLQXLX-UHFFFAOYSA-N
XLogP2.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol (CID 156851078) is 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol is COc1c(Br)cnc2c1CCCC2O.
What is the InChIKey of 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is ZOCZZGJINLQXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-10-6-3-2-4-8(13)9(6)12-5-7(10)11/h5,8,13H,2-4H2,1H3.
What are the key properties of 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol?
3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 258.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 156851078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).