2-ethyl-1-methoxy-3,5-dimethylbenzene;propane

C14H24O — CID 170973865

IUPAC2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
SMILESCCC.CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C11H16O.C3H8/c1-5-10-9(3)6-8(2)7-11(10)12-4;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3
InChIKeyMNACUVWZMUELIC-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds2

About 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane

2-ethyl-1-methoxy-3,5-dimethylbenzene;propane (PubChem CID 170973865) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane.

Molecular Properties

Compound Name2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
PubChem CID170973865
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
SMILESCCC.CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C11H16O.C3H8/c1-5-10-9(3)6-8(2)7-11(10)12-4;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3
InChIKeyMNACUVWZMUELIC-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methoxy-5-methylbenzonitrile
CID 121227165
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
2-(3-bromo-2-methylpropyl)-1-methoxy-3,5-dimethylbenzene
CID 106681362
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane?
The IUPAC name of 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane (CID 170973865) is 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane.
What is the SMILES notation for 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane?
The canonical SMILES for 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane is CCC.CCc1c(C)cc(C)cc1OC.
What is the InChIKey of 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane?
The InChIKey is MNACUVWZMUELIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C3H8/c1-5-10-9(3)6-8(2)7-11(10)12-4;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3.
What are the key properties of 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane?
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane has a molecular weight of 208.34 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methoxy-3,5-dimethylbenzene;propane is sourced from PubChem (CID 170973865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).