4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one

C12H16O2 — CID 10535749

IUPAC4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC12C=CC(=O)C=C1CC(C)CC2
InChIInChI=1S/C12H16O2/c1-9-3-5-12(14-2)6-4-11(13)8-10(12)7-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyMLDLDLVLINPNML-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds1

About 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one

4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 10535749) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID10535749
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC12C=CC(=O)C=C1CC(C)CC2
InChIInChI=1S/C12H16O2/c1-9-3-5-12(14-2)6-4-11(13)8-10(12)7-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyMLDLDLVLINPNML-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 10535749) is 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one is COC12C=CC(=O)C=C1CC(C)CC2.
What is the InChIKey of 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is MLDLDLVLINPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-3-5-12(14-2)6-4-11(13)8-10(12)7-9/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one?
4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 10535749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).