1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene

C15H24O2 — CID 90705178

IUPAC1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OC(C)(C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)10-15(4,5)17-13-8-7-12(3)9-14(13)16-6/h7-9,11H,10H2,1-6H3
InChIKeyWTINOCLBQJRMOB-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.21
Rot. Bonds5

About 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene

1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene (PubChem CID 90705178) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
PubChem CID90705178
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OC(C)(C)CC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)10-15(4,5)17-13-8-7-12(3)9-14(13)16-6/h7-9,11H,10H2,1-6H3
InChIKeyWTINOCLBQJRMOB-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
1-(2-methoxy-4-methylphenyl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol
CID 141115742
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725224
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene?
The IUPAC name of 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene (CID 90705178) is 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene is COc1cc(C)ccc1OC(C)(C)CC(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene?
The InChIKey is WTINOCLBQJRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)10-15(4,5)17-13-8-7-12(3)9-14(13)16-6/h7-9,11H,10H2,1-6H3.
What are the key properties of 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene?
1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene has a molecular weight of 236.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene is sourced from PubChem (CID 90705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).