(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C12H16O3 — CID 101368184

IUPAC(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C[C@H](O)CC2
InChIInChI=1S/C12H16O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h6-7,10,13H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyCJYZRUVSCMUKQT-SNVBAGLBSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds2

About (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 101368184) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID101368184
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C[C@H](O)CC2
InChIInChI=1S/C12H16O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h6-7,10,13H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyCJYZRUVSCMUKQT-SNVBAGLBSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 101368184) is (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is COc1cc2c(cc1OC)C[C@H](O)CC2.
What is the InChIKey of (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is CJYZRUVSCMUKQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h6-7,10,13H,3-5H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 208.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 101368184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).