1,4-dimethyl-2-(1-propoxyethyl)benzene

C13H20O — CID 57176730

IUPAC1,4-dimethyl-2-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1cc(C)ccc1C
InChIInChI=1S/C13H20O/c1-5-8-14-12(4)13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3
InChIKeyYAEINZGWCBYHBW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.79
Rot. Bonds4

About 1,4-dimethyl-2-(1-propoxyethyl)benzene

1,4-dimethyl-2-(1-propoxyethyl)benzene (PubChem CID 57176730) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,4-dimethyl-2-(1-propoxyethyl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(1-propoxyethyl)benzene
PubChem CID57176730
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,4-dimethyl-2-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1cc(C)ccc1C
InChIInChI=1S/C13H20O/c1-5-8-14-12(4)13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3
InChIKeyYAEINZGWCBYHBW-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[4-methyl-2-(1-propoxyethyl)phenyl] carbonate
CID 90300736
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1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
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1-(2,5-dimethylphenyl)ethyl methanesulfonate
CID 102620749
2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
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1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-(2,5-dimethylphenyl)hexan-3-ol
CID 83050609
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
CID 136852898
CID 136852898

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(1-propoxyethyl)benzene?
The IUPAC name of 1,4-dimethyl-2-(1-propoxyethyl)benzene (CID 57176730) is 1,4-dimethyl-2-(1-propoxyethyl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(1-propoxyethyl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(1-propoxyethyl)benzene is CCCOC(C)c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(1-propoxyethyl)benzene?
The InChIKey is YAEINZGWCBYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-8-14-12(4)13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-(1-propoxyethyl)benzene?
1,4-dimethyl-2-(1-propoxyethyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(1-propoxyethyl)benzene is sourced from PubChem (CID 57176730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).