ethane;2-(methoxymethyl)-1,4-dimethylbenzene

C12H20O — CID 143876448

IUPACethane;2-(methoxymethyl)-1,4-dimethylbenzene
SMILESCC.COCc1cc(C)ccc1C
InChIInChI=1S/C10H14O.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyXSVPJJRIWGKHOZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.48
Rot. Bonds2

About ethane;2-(methoxymethyl)-1,4-dimethylbenzene

ethane;2-(methoxymethyl)-1,4-dimethylbenzene (PubChem CID 143876448) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-1,4-dimethylbenzene
PubChem CID143876448
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;2-(methoxymethyl)-1,4-dimethylbenzene
SMILESCC.COCc1cc(C)ccc1C
InChIInChI=1S/C10H14O.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyXSVPJJRIWGKHOZ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
ethane;3-(methoxymethyl)-4-methylbenzoyl chloride
CID 143136390
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
CID 58134240
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-1,4-dimethylbenzene?
The IUPAC name of ethane;2-(methoxymethyl)-1,4-dimethylbenzene (CID 143876448) is ethane;2-(methoxymethyl)-1,4-dimethylbenzene.
What is the SMILES notation for ethane;2-(methoxymethyl)-1,4-dimethylbenzene?
The canonical SMILES for ethane;2-(methoxymethyl)-1,4-dimethylbenzene is CC.COCc1cc(C)ccc1C.
What is the InChIKey of ethane;2-(methoxymethyl)-1,4-dimethylbenzene?
The InChIKey is XSVPJJRIWGKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-1,4-dimethylbenzene?
ethane;2-(methoxymethyl)-1,4-dimethylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 143876448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).