6-methoxy-1-methyl-1,2-dihydronaphthalene

C12H14O — CID 22667820

IUPAC6-methoxy-1-methyl-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)C=CCC2C
InChIInChI=1S/C12H14O/c1-9-4-3-5-10-8-11(13-2)6-7-12(9)10/h3,5-9H,4H2,1-2H3
InChIKeySLDLIRXFPLIFBN-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.22
Rot. Bonds1

About 6-methoxy-1-methyl-1,2-dihydronaphthalene

6-methoxy-1-methyl-1,2-dihydronaphthalene (PubChem CID 22667820) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methoxy-1-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-methoxy-1-methyl-1,2-dihydronaphthalene
PubChem CID22667820
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-methoxy-1-methyl-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)C=CCC2C
InChIInChI=1S/C12H14O/c1-9-4-3-5-10-8-11(13-2)6-7-12(9)10/h3,5-9H,4H2,1-2H3
InChIKeySLDLIRXFPLIFBN-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-1,2-dihydronaphthalene?
The IUPAC name of 6-methoxy-1-methyl-1,2-dihydronaphthalene (CID 22667820) is 6-methoxy-1-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 6-methoxy-1-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 6-methoxy-1-methyl-1,2-dihydronaphthalene is COc1ccc2c(c1)C=CCC2C.
What is the InChIKey of 6-methoxy-1-methyl-1,2-dihydronaphthalene?
The InChIKey is SLDLIRXFPLIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-4-3-5-10-8-11(13-2)6-7-12(9)10/h3,5-9H,4H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-1,2-dihydronaphthalene?
6-methoxy-1-methyl-1,2-dihydronaphthalene has a molecular weight of 174.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 22667820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).