1-methoxy-4-methyl-4a,8a-dihydronaphthalene

C12H14O — CID 59700518

IUPAC1-methoxy-4-methyl-4a,8a-dihydronaphthalene
SMILESCOC1=CC=C(C)C2C=CC=CC12
InChIInChI=1S/C12H14O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,10-11H,1-2H3
InChIKeyROONTOXPXKOSJH-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.84
Rot. Bonds1

About 1-methoxy-4-methyl-4a,8a-dihydronaphthalene

1-methoxy-4-methyl-4a,8a-dihydronaphthalene (PubChem CID 59700518) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-methoxy-4-methyl-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1-methoxy-4-methyl-4a,8a-dihydronaphthalene
PubChem CID59700518
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-methoxy-4-methyl-4a,8a-dihydronaphthalene
SMILESCOC1=CC=C(C)C2C=CC=CC12
InChIInChI=1S/C12H14O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,10-11H,1-2H3
InChIKeyROONTOXPXKOSJH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-4a,8a-dihydronaphthalene?
The IUPAC name of 1-methoxy-4-methyl-4a,8a-dihydronaphthalene (CID 59700518) is 1-methoxy-4-methyl-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1-methoxy-4-methyl-4a,8a-dihydronaphthalene?
The canonical SMILES for 1-methoxy-4-methyl-4a,8a-dihydronaphthalene is COC1=CC=C(C)C2C=CC=CC12.
What is the InChIKey of 1-methoxy-4-methyl-4a,8a-dihydronaphthalene?
The InChIKey is ROONTOXPXKOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,10-11H,1-2H3.
What are the key properties of 1-methoxy-4-methyl-4a,8a-dihydronaphthalene?
1-methoxy-4-methyl-4a,8a-dihydronaphthalene has a molecular weight of 174.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-4a,8a-dihydronaphthalene is sourced from PubChem (CID 59700518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).