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

C15H28O — CID 169219679

IUPACethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
SMILESCC.CC.CCc1cc(C)cc(C)c1OC
InChIInChI=1S/C11H16O.2C2H6/c1-5-10-7-8(2)6-9(3)11(10)12-4;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3
InChIKeyIEOHKQJZWNXFPH-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.93
Rot. Bonds2

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

ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene (PubChem CID 169219679) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
PubChem CID169219679
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
SMILESCC.CC.CCc1cc(C)cc(C)c1OC
InChIInChI=1S/C11H16O.2C2H6/c1-5-10-7-8(2)6-9(3)11(10)12-4;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3
InChIKeyIEOHKQJZWNXFPH-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
1-but-3-ynyl-2-methoxy-3,5-dimethylbenzene
CID 83941962
1-(2,2-dimethylpropyl)-2-methoxy-3,5-dimethylbenzene;ethyl propanoate
CID 144875458

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene?
The IUPAC name of ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene (CID 169219679) is ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene?
The canonical SMILES for ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene is CC.CC.CCc1cc(C)cc(C)c1OC.
What is the InChIKey of ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene?
The InChIKey is IEOHKQJZWNXFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.2C2H6/c1-5-10-7-8(2)6-9(3)11(10)12-4;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene?
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene has a molecular weight of 224.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 169219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).