4-(1-methoxypropyl)-1,2-dimethylbenzene

C12H18O — CID 54163976

IUPAC4-(1-methoxypropyl)-1,2-dimethylbenzene
SMILESCCC(OC)c1ccc(C)c(C)c1
InChIInChI=1S/C12H18O/c1-5-12(13-4)11-7-6-9(2)10(3)8-11/h6-8,12H,5H2,1-4H3
InChIKeyOQJDRPYFZPBTEP-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.40
Rot. Bonds3

About 4-(1-methoxypropyl)-1,2-dimethylbenzene

4-(1-methoxypropyl)-1,2-dimethylbenzene (PubChem CID 54163976) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-(1-methoxypropyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1-methoxypropyl)-1,2-dimethylbenzene
PubChem CID54163976
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-(1-methoxypropyl)-1,2-dimethylbenzene
SMILESCCC(OC)c1ccc(C)c(C)c1
InChIInChI=1S/C12H18O/c1-5-12(13-4)11-7-6-9(2)10(3)8-11/h6-8,12H,5H2,1-4H3
InChIKeyOQJDRPYFZPBTEP-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
2-(3,4-dimethylphenyl)-2-hydroperoxyethanol
CID 134856299
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
[1-(3,4-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 105270775
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
[(1R)-1-(3-fluoro-4-methylphenyl)propyl] cyanate
CID 156524535
1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine
CID 67452414
2-(3,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070290
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
CID 79617741
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1-methoxypropyl)-1,2-dimethylbenzene (CID 54163976) is 4-(1-methoxypropyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1-methoxypropyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1-methoxypropyl)-1,2-dimethylbenzene is CCC(OC)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(1-methoxypropyl)-1,2-dimethylbenzene?
The InChIKey is OQJDRPYFZPBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-12(13-4)11-7-6-9(2)10(3)8-11/h6-8,12H,5H2,1-4H3.
What are the key properties of 4-(1-methoxypropyl)-1,2-dimethylbenzene?
4-(1-methoxypropyl)-1,2-dimethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropyl)-1,2-dimethylbenzene is sourced from PubChem (CID 54163976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).