1,2-dimethoxy-3-methyl-5-propylbenzene;ethane

C14H24O2 — CID 142056687

IUPAC1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
SMILESCC.CCCc1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H18O2.C2H6/c1-5-6-10-7-9(2)12(14-4)11(8-10)13-3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyDGNUXKNIWOLIJT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.99
Rot. Bonds4

About 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane

1,2-dimethoxy-3-methyl-5-propylbenzene;ethane (PubChem CID 142056687) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane.

Molecular Properties

Compound Name1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
PubChem CID142056687
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
SMILESCC.CCCc1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H18O2.C2H6/c1-5-6-10-7-9(2)12(14-4)11(8-10)13-3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyDGNUXKNIWOLIJT-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
N'-[2-(3,4-dimethoxy-5-methylphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 19838089
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1,2,3-trimethoxy-7-propylnaphthalene
CID 150838328

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane?
The IUPAC name of 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane (CID 142056687) is 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane.
What is the SMILES notation for 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane?
The canonical SMILES for 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane is CC.CCCc1cc(C)c(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane?
The InChIKey is DGNUXKNIWOLIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-5-6-10-7-9(2)12(14-4)11(8-10)13-3;1-2/h7-8H,5-6H2,1-4H3;1-2H3.
What are the key properties of 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane?
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane has a molecular weight of 224.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methyl-5-propylbenzene;ethane is sourced from PubChem (CID 142056687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).