1-(2-ethoxyethyl)-4-ethylbenzene

C12H18O — CID 70640844

IUPAC1-(2-ethoxyethyl)-4-ethylbenzene
SMILESCCOCCc1ccc(CC)cc1
InChIInChI=1S/C12H18O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeySQDOCIIQPHWXIN-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-ethoxyethyl)-4-ethylbenzene

1-(2-ethoxyethyl)-4-ethylbenzene (PubChem CID 70640844) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-ethylbenzene
PubChem CID70640844
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2-ethoxyethyl)-4-ethylbenzene
SMILESCCOCCc1ccc(CC)cc1
InChIInChI=1S/C12H18O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeySQDOCIIQPHWXIN-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
4-(2-ethoxyethyl)-2-methylphenol
CID 139712535
1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
CID 142629020
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-ethylbenzene?
The IUPAC name of 1-(2-ethoxyethyl)-4-ethylbenzene (CID 70640844) is 1-(2-ethoxyethyl)-4-ethylbenzene.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-ethylbenzene?
The canonical SMILES for 1-(2-ethoxyethyl)-4-ethylbenzene is CCOCCc1ccc(CC)cc1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-ethylbenzene?
The InChIKey is SQDOCIIQPHWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-ethylbenzene?
1-(2-ethoxyethyl)-4-ethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-ethylbenzene is sourced from PubChem (CID 70640844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).