1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene

C24H34O2 — CID 140530010

IUPAC1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene
SMILESCC(C)OC(C)(C)c1ccc(-c2ccc(C(C)(C)OC(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-17(2)25-23(5,6)21-13-9-19(10-14-21)20-11-15-22(16-12-20)24(7,8)26-18(3)4/h9-18H,1-8H3
InChIKeyLZIRWDFRRULVAU-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.67
Rot. Bonds7

About 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene

1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene (PubChem CID 140530010) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene
PubChem CID140530010
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene
SMILESCC(C)OC(C)(C)c1ccc(-c2ccc(C(C)(C)OC(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-17(2)25-23(5,6)21-13-9-19(10-14-21)20-11-15-22(16-12-20)24(7,8)26-18(3)4/h9-18H,1-8H3
InChIKeyLZIRWDFRRULVAU-UHFFFAOYSA-N
XLogP6.67
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 ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene?
The IUPAC name of 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene (CID 140530010) is 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene.
What is the SMILES notation for 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene?
The canonical SMILES for 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene is CC(C)OC(C)(C)c1ccc(-c2ccc(C(C)(C)OC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene?
The InChIKey is LZIRWDFRRULVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-17(2)25-23(5,6)21-13-9-19(10-14-21)20-11-15-22(16-12-20)24(7,8)26-18(3)4/h9-18H,1-8H3.
What are the key properties of 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene?
1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene has a molecular weight of 354.53 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxypropan-2-yl)-4-[4-(2-propan-2-yloxypropan-2-yl)phenyl]benzene is sourced from PubChem (CID 140530010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).