(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

C12H17NO2 — CID 10845999

IUPAC(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCOc1cc(O)cc2c1[C@H](C)N[C@@H](C)C2
InChIInChI=1S/C12H17NO2/c1-7-4-9-5-10(14)6-11(15-3)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8-/m0/s1
InChIKeyRNCDEHUVRUVRIQ-YUMQZZPRSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds1

About (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 10845999) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID10845999
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCOc1cc(O)cc2c1[C@H](C)N[C@@H](C)C2
InChIInChI=1S/C12H17NO2/c1-7-4-9-5-10(14)6-11(15-3)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8-/m0/s1
InChIKeyRNCDEHUVRUVRIQ-YUMQZZPRSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 10845999) is (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol is COc1cc(O)cc2c1[C@H](C)N[C@@H](C)C2.
What is the InChIKey of (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is RNCDEHUVRUVRIQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-4-9-5-10(14)6-11(15-3)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol?
(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 207.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 10845999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).