1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene

C24H34O5 — CID 70366041

IUPAC1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESCCOCCc1ccc(OCCOCCOc2ccc(CCOCC)cc2)cc1
InChIInChI=1S/C24H34O5/c1-3-25-15-13-21-5-9-23(10-6-21)28-19-17-27-18-20-29-24-11-7-22(8-12-24)14-16-26-4-2/h5-12H,3-4,13-20H2,1-2H3
InChIKeyBXWLYQKKCSNADD-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.32
Rot. Bonds16

About 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene

1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene (PubChem CID 70366041) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
PubChem CID70366041
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESCCOCCc1ccc(OCCOCCOc2ccc(CCOCC)cc2)cc1
InChIInChI=1S/C24H34O5/c1-3-25-15-13-21-5-9-23(10-6-21)28-19-17-27-18-20-29-24-11-7-22(8-12-24)14-16-26-4-2/h5-12H,3-4,13-20H2,1-2H3
InChIKeyBXWLYQKKCSNADD-UHFFFAOYSA-N
XLogP4.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
4-(2-ethoxyethoxy)aniline
CID 16641299
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
CID 174172216
CID 153379110
CID 153379110
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
CID 165125468
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene (CID 70366041) is 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene is CCOCCc1ccc(OCCOCCOc2ccc(CCOCC)cc2)cc1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene?
The InChIKey is BXWLYQKKCSNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-3-25-15-13-21-5-9-23(10-6-21)28-19-17-27-18-20-29-24-11-7-22(8-12-24)14-16-26-4-2/h5-12H,3-4,13-20H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene?
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene has a molecular weight of 402.53 g/mol, XLogP of 4.32, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 70366041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).