1-(1-ethoxyethyl)-2,3-dimethylbenzene

C12H18O — CID 19386638

IUPAC1-(1-ethoxyethyl)-2,3-dimethylbenzene
SMILESCCOC(C)c1cccc(C)c1C
InChIInChI=1S/C12H18O/c1-5-13-11(4)12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3
InChIKeyVUWCFPRWCFPZST-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-ethoxyethyl)-2,3-dimethylbenzene

1-(1-ethoxyethyl)-2,3-dimethylbenzene (PubChem CID 19386638) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-2,3-dimethylbenzene
PubChem CID19386638
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(1-ethoxyethyl)-2,3-dimethylbenzene
SMILESCCOC(C)c1cccc(C)c1C
InChIInChI=1S/C12H18O/c1-5-13-11(4)12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3
InChIKeyVUWCFPRWCFPZST-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-2,2-diethoxyethanol
CID 79496143
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
2-(1-ethoxyethyl)-3-methylphenol
CID 67321462
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
[1-(2,3-dimethylphenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279230

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(1-ethoxyethyl)-2,3-dimethylbenzene (CID 19386638) is 1-(1-ethoxyethyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(1-ethoxyethyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(1-ethoxyethyl)-2,3-dimethylbenzene is CCOC(C)c1cccc(C)c1C.
What is the InChIKey of 1-(1-ethoxyethyl)-2,3-dimethylbenzene?
The InChIKey is VUWCFPRWCFPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-13-11(4)12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3.
What are the key properties of 1-(1-ethoxyethyl)-2,3-dimethylbenzene?
1-(1-ethoxyethyl)-2,3-dimethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-2,3-dimethylbenzene is sourced from PubChem (CID 19386638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).