1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene

C21H28O4 — CID 90249026

IUPAC1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
SMILESCCOCCOc1ccc(-c2ccc(OCCOC(C)C)cc2)cc1
InChIInChI=1S/C21H28O4/c1-4-22-13-14-24-20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-16-15-23-17(2)3/h5-12,17H,4,13-16H2,1-3H3
InChIKeyRCXVBXXZTOQYGT-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.57
Rot. Bonds11

About 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene

1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene (PubChem CID 90249026) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
PubChem CID90249026
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
SMILESCCOCCOc1ccc(-c2ccc(OCCOC(C)C)cc2)cc1
InChIInChI=1S/C21H28O4/c1-4-22-13-14-24-20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-16-15-23-17(2)3/h5-12,17H,4,13-16H2,1-3H3
InChIKeyRCXVBXXZTOQYGT-UHFFFAOYSA-N
XLogP4.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
4-[2-[4-(2-ethoxyethoxy)-6-(2-propan-2-yloxyethoxy)heptan-2-yl]oxyethoxy]benzoic acid
CID 58861562
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]benzenesulfonate
CID 20595015
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
4-(2-ethoxyethoxy)aniline
CID 16641299
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
CID 168747424
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene?
The IUPAC name of 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene (CID 90249026) is 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene.
What is the SMILES notation for 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene?
The canonical SMILES for 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene is CCOCCOc1ccc(-c2ccc(OCCOC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene?
The InChIKey is RCXVBXXZTOQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-4-22-13-14-24-20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-16-15-23-17(2)3/h5-12,17H,4,13-16H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene?
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene has a molecular weight of 344.45 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene is sourced from PubChem (CID 90249026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).