1-tetracosyl-4-(4-tetracosylphenoxy)benzene

C60H106O — CID 57157299

IUPAC1-tetracosyl-4-(4-tetracosylphenoxy)benzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C60H106O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-57-49-53-59(54-50-57)61-60-55-51-58(52-56-60)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49-56H,3-48H2,1-2H3
InChIKeyYCTNOFMCXDWUST-UHFFFAOYSA-N
MW843.51 g/mol
LogP21.77
Rot. Bonds48

About 1-tetracosyl-4-(4-tetracosylphenoxy)benzene

1-tetracosyl-4-(4-tetracosylphenoxy)benzene (PubChem CID 57157299) has the molecular formula C60H106O and a molecular weight of 843.51 g/mol. Its IUPAC name is 1-tetracosyl-4-(4-tetracosylphenoxy)benzene.

Molecular Properties

Compound Name1-tetracosyl-4-(4-tetracosylphenoxy)benzene
PubChem CID57157299
Molecular FormulaC60H106O
Molecular Weight843.51 g/mol
Exact Mass842.82
IUPAC Name1-tetracosyl-4-(4-tetracosylphenoxy)benzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C60H106O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-57-49-53-59(54-50-57)61-60-55-51-58(52-56-60)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49-56H,3-48H2,1-2H3
InChIKeyYCTNOFMCXDWUST-UHFFFAOYSA-N
XLogP21.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.51
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
4-(4-dodecylphenoxy)phenol
CID 134258509
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
1-butyl-4-nonylbenzene
CID 59545302
CID 59959489
CID 59959489
1-hexoxy-4-pentylbenzene
CID 54277450
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247

Frequently Asked Questions

What is the IUPAC name of 1-tetracosyl-4-(4-tetracosylphenoxy)benzene?
The IUPAC name of 1-tetracosyl-4-(4-tetracosylphenoxy)benzene (CID 57157299) is 1-tetracosyl-4-(4-tetracosylphenoxy)benzene.
What is the SMILES notation for 1-tetracosyl-4-(4-tetracosylphenoxy)benzene?
The canonical SMILES for 1-tetracosyl-4-(4-tetracosylphenoxy)benzene is CCCCCCCCCCCCCCCCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1-tetracosyl-4-(4-tetracosylphenoxy)benzene?
The InChIKey is YCTNOFMCXDWUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H106O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-57-49-53-59(54-50-57)61-60-55-51-58(52-56-60)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49-56H,3-48H2,1-2H3.
What are the key properties of 1-tetracosyl-4-(4-tetracosylphenoxy)benzene?
1-tetracosyl-4-(4-tetracosylphenoxy)benzene has a molecular weight of 843.51 g/mol, XLogP of 21.77, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracosyl-4-(4-tetracosylphenoxy)benzene is sourced from PubChem (CID 57157299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).