5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C12H16O3 — CID 5073341

IUPAC5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CCC(O)C2
InChIInChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyPYKAZTXRZOPYIQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds2

About 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 5073341) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID5073341
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CCC(O)C2
InChIInChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyPYKAZTXRZOPYIQ-UHFFFAOYSA-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 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 5073341) is 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is COc1ccc(OC)c2c1CCC(O)C2.
What is the InChIKey of 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is PYKAZTXRZOPYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
5,8-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 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 5073341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).