1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene

C30H38O6 — CID 102046454

IUPAC1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
SMILESCCc1ccc(OCCOCCOc2cccc(OCCOCCOc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C30H38O6/c1-3-25-8-12-27(13-9-25)33-20-16-31-18-22-35-29-6-5-7-30(24-29)36-23-19-32-17-21-34-28-14-10-26(4-2)11-15-28/h5-15,24H,3-4,16-23H2,1-2H3
InChIKeyYOCFPAJYKKMDHP-UHFFFAOYSA-N
MW494.63 g/mol
LogP5.76
Rot. Bonds18

About 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene

1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 102046454) has the molecular formula C30H38O6 and a molecular weight of 494.63 g/mol. Its IUPAC name is 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
PubChem CID102046454
Molecular FormulaC30H38O6
Molecular Weight494.63 g/mol
Exact Mass494.27
IUPAC Name1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
SMILESCCc1ccc(OCCOCCOc2cccc(OCCOCCOc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C30H38O6/c1-3-25-8-12-27(13-9-25)33-20-16-31-18-22-35-29-6-5-7-30(24-29)36-23-19-32-17-21-34-28-14-10-26(4-2)11-15-28/h5-15,24H,3-4,16-23H2,1-2H3
InChIKeyYOCFPAJYKKMDHP-UHFFFAOYSA-N
XLogP5.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
CID 2246292
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene (CID 102046454) is 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene is CCc1ccc(OCCOCCOc2cccc(OCCOCCOc3ccc(CC)cc3)c2)cc1.
What is the InChIKey of 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is YOCFPAJYKKMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O6/c1-3-25-8-12-27(13-9-25)33-20-16-31-18-22-35-29-6-5-7-30(24-29)36-23-19-32-17-21-34-28-14-10-26(4-2)11-15-28/h5-15,24H,3-4,16-23H2,1-2H3.
What are the key properties of 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene?
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 494.63 g/mol, XLogP of 5.76, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 102046454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).