2-methoxy-6-methylnaphthalene;2-methylnaphthalene

C23H22O — CID 161453855

IUPAC2-methoxy-6-methylnaphthalene;2-methylnaphthalene
SMILESCOc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H12O.C11H10/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3
InChIKeyWAWRMGCUDVVHGB-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.31
Rot. Bonds1

About 2-methoxy-6-methylnaphthalene;2-methylnaphthalene

2-methoxy-6-methylnaphthalene;2-methylnaphthalene (PubChem CID 161453855) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methoxy-6-methylnaphthalene;2-methylnaphthalene.

Molecular Properties

Compound Name2-methoxy-6-methylnaphthalene;2-methylnaphthalene
PubChem CID161453855
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-6-methylnaphthalene;2-methylnaphthalene
SMILESCOc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H12O.C11H10/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3
InChIKeyWAWRMGCUDVVHGB-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
lithium;hydride;2-methylnaphthalene
CID 175090071
2-methylnaphthalene;1,2-xylene
CID 142041411
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-methoxy-7-methylnaphthalene;trifluoromethanesulfonic acid
CID 175579683
1-(113C)methoxy-4-methylbenzene
CID 166176950

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylnaphthalene;2-methylnaphthalene?
The IUPAC name of 2-methoxy-6-methylnaphthalene;2-methylnaphthalene (CID 161453855) is 2-methoxy-6-methylnaphthalene;2-methylnaphthalene.
What is the SMILES notation for 2-methoxy-6-methylnaphthalene;2-methylnaphthalene?
The canonical SMILES for 2-methoxy-6-methylnaphthalene;2-methylnaphthalene is COc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-6-methylnaphthalene;2-methylnaphthalene?
The InChIKey is WAWRMGCUDVVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C11H10/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3.
What are the key properties of 2-methoxy-6-methylnaphthalene;2-methylnaphthalene?
2-methoxy-6-methylnaphthalene;2-methylnaphthalene has a molecular weight of 314.43 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylnaphthalene;2-methylnaphthalene is sourced from PubChem (CID 161453855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).