3-(1-methoxyethenyl)isoquinolin-6-ol

C12H11NO2 — CID 137047874

IUPAC3-(1-methoxyethenyl)isoquinolin-6-ol
SMILESC=C(OC)c1cc2cc(O)ccc2cn1
InChIInChI=1S/C12H11NO2/c1-8(15-2)12-6-10-5-11(14)4-3-9(10)7-13-12/h3-7,14H,1H2,2H3
InChIKeyJPLQMDNQFAGUTQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.56
Rot. Bonds2

About 3-(1-methoxyethenyl)isoquinolin-6-ol

3-(1-methoxyethenyl)isoquinolin-6-ol (PubChem CID 137047874) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)isoquinolin-6-ol.

Molecular Properties

Compound Name3-(1-methoxyethenyl)isoquinolin-6-ol
PubChem CID137047874
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-(1-methoxyethenyl)isoquinolin-6-ol
SMILESC=C(OC)c1cc2cc(O)ccc2cn1
InChIInChI=1S/C12H11NO2/c1-8(15-2)12-6-10-5-11(14)4-3-9(10)7-13-12/h3-7,14H,1H2,2H3
InChIKeyJPLQMDNQFAGUTQ-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)isoquinolin-6-ol?
The IUPAC name of 3-(1-methoxyethenyl)isoquinolin-6-ol (CID 137047874) is 3-(1-methoxyethenyl)isoquinolin-6-ol.
What is the SMILES notation for 3-(1-methoxyethenyl)isoquinolin-6-ol?
The canonical SMILES for 3-(1-methoxyethenyl)isoquinolin-6-ol is C=C(OC)c1cc2cc(O)ccc2cn1.
What is the InChIKey of 3-(1-methoxyethenyl)isoquinolin-6-ol?
The InChIKey is JPLQMDNQFAGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(15-2)12-6-10-5-11(14)4-3-9(10)7-13-12/h3-7,14H,1H2,2H3.
What are the key properties of 3-(1-methoxyethenyl)isoquinolin-6-ol?
3-(1-methoxyethenyl)isoquinolin-6-ol has a molecular weight of 201.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethenyl)isoquinolin-6-ol is sourced from PubChem (CID 137047874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).