3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene

C20H20O — CID 102027200

IUPAC3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
SMILESCOc1cccc(C)c1-c1cc2ccccc2c(C)c1C
InChIInChI=1S/C20H20O/c1-13-8-7-11-19(21-4)20(13)18-12-16-9-5-6-10-17(16)14(2)15(18)3/h5-12H,1-4H3
InChIKeyZAHYMDWDXWBMJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.44
Rot. Bonds2

About 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene

3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene (PubChem CID 102027200) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene.

Molecular Properties

Compound Name3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
PubChem CID102027200
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
SMILESCOc1cccc(C)c1-c1cc2ccccc2c(C)c1C
InChIInChI=1S/C20H20O/c1-13-8-7-11-19(21-4)20(13)18-12-16-9-5-6-10-17(16)14(2)15(18)3/h5-12H,1-4H3
InChIKeyZAHYMDWDXWBMJR-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-(2-methoxy-6-methylphenyl)naphthalene
CID 165003096
1-methoxyanthracen-9-amine
CID 23131408
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
1,4-bis(2,6-dimethylphenyl)-2,5-dimethoxybenzene
CID 156631925
1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
CID 158265528
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
4-methoxy-1-methyl-2-(8-methylnaphthalen-2-yl)naphthalene
CID 130194968
2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
CID 101108881
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
CID 118473639

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene?
The IUPAC name of 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene (CID 102027200) is 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene.
What is the SMILES notation for 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene?
The canonical SMILES for 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene is COc1cccc(C)c1-c1cc2ccccc2c(C)c1C.
What is the InChIKey of 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene?
The InChIKey is ZAHYMDWDXWBMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-13-8-7-11-19(21-4)20(13)18-12-16-9-5-6-10-17(16)14(2)15(18)3/h5-12H,1-4H3.
What are the key properties of 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene?
3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene has a molecular weight of 276.38 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene is sourced from PubChem (CID 102027200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).