7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one

C13H18O2 — CID 155073535

IUPAC7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCOC1=CC2=C(CCC(=O)C2(C)C)CC1
InChIInChI=1S/C13H18O2/c1-13(2)11-8-10(15-3)6-4-9(11)5-7-12(13)14/h8H,4-7H2,1-3H3
InChIKeyZFQBFHFJWOBRNG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds1

About 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one

7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one (PubChem CID 155073535) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
PubChem CID155073535
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCOC1=CC2=C(CCC(=O)C2(C)C)CC1
InChIInChI=1S/C13H18O2/c1-13(2)11-8-10(15-3)6-4-9(11)5-7-12(13)14/h8H,4-7H2,1-3H3
InChIKeyZFQBFHFJWOBRNG-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one?
The IUPAC name of 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one (CID 155073535) is 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one?
The canonical SMILES for 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one is COC1=CC2=C(CCC(=O)C2(C)C)CC1.
What is the InChIKey of 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one?
The InChIKey is ZFQBFHFJWOBRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)11-8-10(15-3)6-4-9(11)5-7-12(13)14/h8H,4-7H2,1-3H3.
What are the key properties of 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one?
7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 155073535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).