2-(2-methoxyethoxy)ethylbenzene

C11H16O2 — CID 21135488

IUPAC2-(2-methoxyethoxy)ethylbenzene
SMILESCOCCOCCc1ccccc1
InChIInChI=1S/C11H16O2/c1-12-9-10-13-8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyAXXZWOHZLDTXPQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.89
Rot. Bonds6

About 2-(2-methoxyethoxy)ethylbenzene

2-(2-methoxyethoxy)ethylbenzene (PubChem CID 21135488) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethylbenzene.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethylbenzene
PubChem CID21135488
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-methoxyethoxy)ethylbenzene
SMILESCOCCOCCc1ccccc1
InChIInChI=1S/C11H16O2/c1-12-9-10-13-8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyAXXZWOHZLDTXPQ-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.89
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

2-methoxyethylbenzene
CID 19089
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
[deuterio(2-methoxyethoxy)methyl]benzene
CID 10942826
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-pentoxyethylbenzene
CID 3022447
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
7-methoxyheptylbenzene
CID 54276867
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
CID 175305550

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethylbenzene?
The IUPAC name of 2-(2-methoxyethoxy)ethylbenzene (CID 21135488) is 2-(2-methoxyethoxy)ethylbenzene.
What is the SMILES notation for 2-(2-methoxyethoxy)ethylbenzene?
The canonical SMILES for 2-(2-methoxyethoxy)ethylbenzene is COCCOCCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethylbenzene?
The InChIKey is AXXZWOHZLDTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-12-9-10-13-8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethylbenzene?
2-(2-methoxyethoxy)ethylbenzene has a molecular weight of 180.25 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethylbenzene is sourced from PubChem (CID 21135488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).