1-(2-ethoxyethoxy)-2,4-dimethylbenzene

C12H18O2 — CID 60644510

IUPAC1-(2-ethoxyethoxy)-2,4-dimethylbenzene
SMILESCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C12H18O2/c1-4-13-7-8-14-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAXZVCLQFPQHCHD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-ethoxyethoxy)-2,4-dimethylbenzene

1-(2-ethoxyethoxy)-2,4-dimethylbenzene (PubChem CID 60644510) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-2,4-dimethylbenzene
PubChem CID60644510
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2-ethoxyethoxy)-2,4-dimethylbenzene
SMILESCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C12H18O2/c1-4-13-7-8-14-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAXZVCLQFPQHCHD-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122823
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
CID 118088602
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(2-ethoxyethoxy)-2,4-dimethylbenzene (CID 60644510) is 1-(2-ethoxyethoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-ethoxyethoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-ethoxyethoxy)-2,4-dimethylbenzene is CCOCCOc1ccc(C)cc1C.
What is the InChIKey of 1-(2-ethoxyethoxy)-2,4-dimethylbenzene?
The InChIKey is AXZVCLQFPQHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-13-7-8-14-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-2,4-dimethylbenzene?
1-(2-ethoxyethoxy)-2,4-dimethylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 60644510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).