1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol

C13H20O2 — CID 134345916

IUPAC1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol
SMILESCOC1C2=C(C=C(C)C1O)CCCC2C
InChIInChI=1S/C13H20O2/c1-8-5-4-6-10-7-9(2)12(14)13(15-3)11(8)10/h7-8,12-14H,4-6H2,1-3H3
InChIKeyPJHDGNAVCBPTIT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.44
Rot. Bonds1

About 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol

1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol (PubChem CID 134345916) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol
PubChem CID134345916
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol
SMILESCOC1C2=C(C=C(C)C1O)CCCC2C
InChIInChI=1S/C13H20O2/c1-8-5-4-6-10-7-9(2)12(14)13(15-3)11(8)10/h7-8,12-14H,4-6H2,1-3H3
InChIKeyPJHDGNAVCBPTIT-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol?
The IUPAC name of 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol (CID 134345916) is 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol?
The canonical SMILES for 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol is COC1C2=C(C=C(C)C1O)CCCC2C.
What is the InChIKey of 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol?
The InChIKey is PJHDGNAVCBPTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-5-4-6-10-7-9(2)12(14)13(15-3)11(8)10/h7-8,12-14H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol?
1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 134345916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).