1,2-dimethyl-4-propoxybenzene

C11H16O — CID 23549082

IUPAC1,2-dimethyl-4-propoxybenzene
SMILESCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C11H16O/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyTVDSTFPJXBGOQH-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.09
Rot. Bonds3

About 1,2-dimethyl-4-propoxybenzene

1,2-dimethyl-4-propoxybenzene (PubChem CID 23549082) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,2-dimethyl-4-propoxybenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propoxybenzene
PubChem CID23549082
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1,2-dimethyl-4-propoxybenzene
SMILESCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C11H16O/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyTVDSTFPJXBGOQH-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1-tert-butyl-2-methyl-4-propoxybenzene
CID 170076191
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-methyl-1-nitroso-4-propoxybenzene
CID 88930655
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2-methyl-4-propoxybenzoyl chloride
CID 82631959
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propoxybenzene?
The IUPAC name of 1,2-dimethyl-4-propoxybenzene (CID 23549082) is 1,2-dimethyl-4-propoxybenzene.
What is the SMILES notation for 1,2-dimethyl-4-propoxybenzene?
The canonical SMILES for 1,2-dimethyl-4-propoxybenzene is CCCOc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-propoxybenzene?
The InChIKey is TVDSTFPJXBGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-propoxybenzene?
1,2-dimethyl-4-propoxybenzene has a molecular weight of 164.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propoxybenzene is sourced from PubChem (CID 23549082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).