1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene

C24H34O2 — CID 140908011

IUPAC1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene
SMILESCC(C)(C)OCCOCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-23(2,3)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-16-25-17-18-26-24(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyLOGYUIGWFLXNTH-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.03
Rot. Bonds7

About 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene

1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene (PubChem CID 140908011) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene
PubChem CID140908011
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene
SMILESCC(C)(C)OCCOCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-23(2,3)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-16-25-17-18-26-24(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyLOGYUIGWFLXNTH-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.03
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

4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112587191
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
1-tert-butyl-4-[11-(2-ethoxyethoxy)undecyl]benzene
CID 162744789
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]benzene
CID 155931293
1-tert-butyl-4-[11-(2-propan-2-yloxyethoxy)undecyl]benzene
CID 170689211
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine
CID 20768993
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene
CID 135165102
1-bromo-4-tert-butylbenzene;1-bromo-4-(3-ethoxypropyl)benzene
CID 67291909

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene?
The IUPAC name of 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene (CID 140908011) is 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene is CC(C)(C)OCCOCCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene?
The InChIKey is LOGYUIGWFLXNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-23(2,3)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-16-25-17-18-26-24(4,5)6/h7-14H,15-18H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene?
1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene has a molecular weight of 354.53 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene is sourced from PubChem (CID 140908011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).