1,4-bis(1,2-diphenylethoxy)benzene

C34H30O2 — CID 67207918

IUPAC1,4-bis(1,2-diphenylethoxy)benzene
SMILESc1ccc(CC(Oc2ccc(OC(Cc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H30O2/c1-5-13-27(14-6-1)25-33(29-17-9-3-10-18-29)35-31-21-23-32(24-22-31)36-34(30-19-11-4-12-20-30)26-28-15-7-2-8-16-28/h1-24,33-34H,25-26H2
InChIKeyOSFPPYUULRUJGF-UHFFFAOYSA-N
MW470.61 g/mol
LogP8.41
Rot. Bonds10

About 1,4-bis(1,2-diphenylethoxy)benzene

1,4-bis(1,2-diphenylethoxy)benzene (PubChem CID 67207918) has the molecular formula C34H30O2 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1,4-bis(1,2-diphenylethoxy)benzene.

Molecular Properties

Compound Name1,4-bis(1,2-diphenylethoxy)benzene
PubChem CID67207918
Molecular FormulaC34H30O2
Molecular Weight470.61 g/mol
Exact Mass470.22
IUPAC Name1,4-bis(1,2-diphenylethoxy)benzene
SMILESc1ccc(CC(Oc2ccc(OC(Cc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H30O2/c1-5-13-27(14-6-1)25-33(29-17-9-3-10-18-29)35-31-21-23-32(24-22-31)36-34(30-19-11-4-12-20-30)26-28-15-7-2-8-16-28/h1-24,33-34H,25-26H2
InChIKeyOSFPPYUULRUJGF-UHFFFAOYSA-N
XLogP8.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-phenoxy-2-phenylethanamine chloride
CID 21228850
N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
CID 25094007
2-[1-(4-methoxyphenyl)-2-phenylethoxy]pyridine
CID 175878061
1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene
CID 173361622
bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
(3-bromo-1-phenoxypropyl)benzene
CID 140974911

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,2-diphenylethoxy)benzene?
The IUPAC name of 1,4-bis(1,2-diphenylethoxy)benzene (CID 67207918) is 1,4-bis(1,2-diphenylethoxy)benzene.
What is the SMILES notation for 1,4-bis(1,2-diphenylethoxy)benzene?
The canonical SMILES for 1,4-bis(1,2-diphenylethoxy)benzene is c1ccc(CC(Oc2ccc(OC(Cc3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(1,2-diphenylethoxy)benzene?
The InChIKey is OSFPPYUULRUJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O2/c1-5-13-27(14-6-1)25-33(29-17-9-3-10-18-29)35-31-21-23-32(24-22-31)36-34(30-19-11-4-12-20-30)26-28-15-7-2-8-16-28/h1-24,33-34H,25-26H2.
What are the key properties of 1,4-bis(1,2-diphenylethoxy)benzene?
1,4-bis(1,2-diphenylethoxy)benzene has a molecular weight of 470.61 g/mol, XLogP of 8.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,2-diphenylethoxy)benzene is sourced from PubChem (CID 67207918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).