5-(methoxymethyl)-1,2,3-trimethylbenzene

C11H16O — CID 23572077

IUPAC5-(methoxymethyl)-1,2,3-trimethylbenzene
SMILESCOCc1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H16O/c1-8-5-11(7-12-4)6-9(2)10(8)3/h5-6H,7H2,1-4H3
InChIKeyVDPCQEBMDNGUOC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.76
Rot. Bonds2

About 5-(methoxymethyl)-1,2,3-trimethylbenzene

5-(methoxymethyl)-1,2,3-trimethylbenzene (PubChem CID 23572077) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3-trimethylbenzene.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3-trimethylbenzene
PubChem CID23572077
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-(methoxymethyl)-1,2,3-trimethylbenzene
SMILESCOCc1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H16O/c1-8-5-11(7-12-4)6-9(2)10(8)3/h5-6H,7H2,1-4H3
InChIKeyVDPCQEBMDNGUOC-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methoxymethyl)-2,6-dimethylaniline
CID 13265329
4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
CID 71170030
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
4-(methoxymethyl)-2-methylbenzenethiol
CID 123188864
2-(bromomethyl)-1-fluoro-5-(methoxymethyl)-3-methylbenzene
CID 142578239
7-(methoxymethyl)-1,2-dimethylnaphthalene
CID 144628840
1-tert-butyl-3,5-bis(methoxymethyl)benzene
CID 123490967
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
CID 107571721
4-(methoxymethyl)-2-methyl-6-nitrophenol
CID 131500221
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
2,6-dibromo-4-(methoxymethyl)pyridine
CID 139464696
1-tert-butyl-3-fluoro-5-(methoxymethyl)-2-methylbenzene
CID 146424482

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,3-trimethylbenzene?
The IUPAC name of 5-(methoxymethyl)-1,2,3-trimethylbenzene (CID 23572077) is 5-(methoxymethyl)-1,2,3-trimethylbenzene.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3-trimethylbenzene?
The canonical SMILES for 5-(methoxymethyl)-1,2,3-trimethylbenzene is COCc1cc(C)c(C)c(C)c1.
What is the InChIKey of 5-(methoxymethyl)-1,2,3-trimethylbenzene?
The InChIKey is VDPCQEBMDNGUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-5-11(7-12-4)6-9(2)10(8)3/h5-6H,7H2,1-4H3.
What are the key properties of 5-(methoxymethyl)-1,2,3-trimethylbenzene?
5-(methoxymethyl)-1,2,3-trimethylbenzene has a molecular weight of 164.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,3-trimethylbenzene is sourced from PubChem (CID 23572077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).