3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

C13H18O2 — CID 163922079

IUPAC3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)C(C)CCC2C
InChIInChI=1S/C13H18O2/c1-8-4-5-9(2)11-7-13(15-3)12(14)6-10(8)11/h6-9,14H,4-5H2,1-3H3
InChIKeyRBGLLJRUNDEGOI-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.40
Rot. Bonds1

About 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 163922079) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID163922079
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)C(C)CCC2C
InChIInChI=1S/C13H18O2/c1-8-4-5-9(2)11-7-13(15-3)12(14)6-10(8)11/h6-9,14H,4-5H2,1-3H3
InChIKeyRBGLLJRUNDEGOI-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 163922079) is 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc2c(cc1O)C(C)CCC2C.
What is the InChIKey of 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RBGLLJRUNDEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-4-5-9(2)11-7-13(15-3)12(14)6-10(8)11/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 206.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 163922079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).