1,2-dimethyl-3-(2-methylpropoxymethyl)benzene

C13H20O — CID 122553324

IUPAC1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
SMILESCc1cccc(COCC(C)C)c1C
InChIInChI=1S/C13H20O/c1-10(2)8-14-9-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyWCSSSDFOMYACLY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.48
Rot. Bonds4

About 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene

1,2-dimethyl-3-(2-methylpropoxymethyl)benzene (PubChem CID 122553324) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
PubChem CID122553324
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
SMILESCc1cccc(COCC(C)C)c1C
InChIInChI=1S/C13H20O/c1-10(2)8-14-9-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyWCSSSDFOMYACLY-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
CID 139601612
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
1,2-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83922042
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene?
The IUPAC name of 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene (CID 122553324) is 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene?
The canonical SMILES for 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene is Cc1cccc(COCC(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene?
The InChIKey is WCSSSDFOMYACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)8-14-9-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene?
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylpropoxymethyl)benzene is sourced from PubChem (CID 122553324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).