1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene

C34H38O6 — CID 86003700

IUPAC1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESc1ccc(-c2ccc(OCCOCCOCCOCCOCCOc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C34H38O6/c1-3-7-29(8-4-1)31-11-15-33(16-12-31)39-27-25-37-23-21-35-19-20-36-22-24-38-26-28-40-34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-18H,19-28H2
InChIKeyMTCFWLGRHZPIKT-UHFFFAOYSA-N
MW542.67 g/mol
LogP6.54
Rot. Bonds19

About 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene

1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene (PubChem CID 86003700) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
PubChem CID86003700
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESc1ccc(-c2ccc(OCCOCCOCCOCCOCCOc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C34H38O6/c1-3-7-29(8-4-1)31-11-15-33(16-12-31)39-27-25-37-23-21-35-19-20-36-22-24-38-26-28-40-34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-18H,19-28H2
InChIKeyMTCFWLGRHZPIKT-UHFFFAOYSA-N
XLogP6.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.67
LogP ≤ 56.54
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-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
CID 170194757
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199683
1-pentoxy-4-phenylbenzene
CID 7021155
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-(2-phenoxyethoxy)ethanol
CID 7715
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
(4-phenylphenoxy)methanol
CID 71028246
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene (CID 86003700) is 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene is c1ccc(-c2ccc(OCCOCCOCCOCCOCCOc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The InChIKey is MTCFWLGRHZPIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O6/c1-3-7-29(8-4-1)31-11-15-33(16-12-31)39-27-25-37-23-21-35-19-20-36-22-24-38-26-28-40-34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-18H,19-28H2.
What are the key properties of 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene?
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 542.67 g/mol, XLogP of 6.54, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 86003700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).