1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene

C23H32O2 — CID 86190346

IUPAC1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-17-8-10-20(11-9-17)24-12-13-25-21-15-18(22(2,3)4)14-19(16-21)23(5,6)7/h8-11,14-16H,12-13H2,1-7H3
InChIKeyYQUIFWIHPFKRLW-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.05
Rot. Bonds5

About 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene

1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene (PubChem CID 86190346) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
PubChem CID86190346
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-17-8-10-20(11-9-17)24-12-13-25-21-15-18(22(2,3)4)14-19(16-21)23(5,6)7/h8-11,14-16H,12-13H2,1-7H3
InChIKeyYQUIFWIHPFKRLW-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3,5-ditert-butylbenzene
CID 57175272
1,3-ditert-butyl-5-[[4-[9-[4-[(3,5-ditert-butylphenoxy)methyl]phenoxy]nonoxy]phenyl]methoxy]benzene
CID 177395046
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
1-(4-tert-butylphenoxy)-3-(3,5-ditert-butylphenoxy)propan-2-ol
CID 140533056
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 58376578
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene (CID 86190346) is 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene is Cc1ccc(OCCOc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene?
The InChIKey is YQUIFWIHPFKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-17-8-10-20(11-9-17)24-12-13-25-21-15-18(22(2,3)4)14-19(16-21)23(5,6)7/h8-11,14-16H,12-13H2,1-7H3.
What are the key properties of 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene?
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene has a molecular weight of 340.51 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 86190346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).