1,4-bis(methoxymethyl)-2-methylbenzene

C11H16O2 — CID 19879640

IUPAC1,4-bis(methoxymethyl)-2-methylbenzene
SMILESCOCc1ccc(COC)c(C)c1
InChIInChI=1S/C11H16O2/c1-9-6-10(7-12-2)4-5-11(9)8-13-3/h4-6H,7-8H2,1-3H3
InChIKeyYYTKPNGRUIEEKZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.29
Rot. Bonds4

About 1,4-bis(methoxymethyl)-2-methylbenzene

1,4-bis(methoxymethyl)-2-methylbenzene (PubChem CID 19879640) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,4-bis(methoxymethyl)-2-methylbenzene.

Molecular Properties

Compound Name1,4-bis(methoxymethyl)-2-methylbenzene
PubChem CID19879640
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,4-bis(methoxymethyl)-2-methylbenzene
SMILESCOCc1ccc(COC)c(C)c1
InChIInChI=1S/C11H16O2/c1-9-6-10(7-12-2)4-5-11(9)8-13-3/h4-6H,7-8H2,1-3H3
InChIKeyYYTKPNGRUIEEKZ-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
4-(methoxymethyl)-2-methylbenzenethiol
CID 123188864
4-(methoxymethyl)-3-methylbenzenesulfonamide
CID 83271766
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-ethynyl-1-(methoxymethyl)-2-methylbenzene
CID 131989894
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
1-(methoxymethyl)-4-(4-methoxyphenyl)-2-methylbenzene
CID 91108863
ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
CID 144628843
7-(methoxymethyl)-1,2-dimethylnaphthalene
CID 144628840
4-(methoxymethyl)-2,6-dimethylaniline
CID 13265329
7-(methoxymethyl)-1-methylnaphthalene
CID 122580391
1-(methoxymethyl)-4-[[4-(methoxymethyl)-3-methylphenyl]-diphenylmethyl]-2-methylbenzene;2-(methoxymethyl)-6-[[6-(methoxymethyl)naphthalen-2-yl]-diphenylmethyl]naphthalene;2-(methoxymethyl)-1-[2-(methoxymethyl)naphthalen-1-yl]naphthalene;1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 163623788

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methoxymethyl)-2-methylbenzene?
The IUPAC name of 1,4-bis(methoxymethyl)-2-methylbenzene (CID 19879640) is 1,4-bis(methoxymethyl)-2-methylbenzene.
What is the SMILES notation for 1,4-bis(methoxymethyl)-2-methylbenzene?
The canonical SMILES for 1,4-bis(methoxymethyl)-2-methylbenzene is COCc1ccc(COC)c(C)c1.
What is the InChIKey of 1,4-bis(methoxymethyl)-2-methylbenzene?
The InChIKey is YYTKPNGRUIEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-6-10(7-12-2)4-5-11(9)8-13-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1,4-bis(methoxymethyl)-2-methylbenzene?
1,4-bis(methoxymethyl)-2-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methoxymethyl)-2-methylbenzene is sourced from PubChem (CID 19879640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).