1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene

C24H26O — CID 46217869

IUPAC1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene
SMILESCCC(C)OCCc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H26O/c1-3-19(2)25-17-16-22-14-15-23(20-10-6-4-7-11-20)18-24(22)21-12-8-5-9-13-21/h4-15,18-19H,3,16-17H2,1-2H3
InChIKeyIJXLCPNXJXBMLU-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.38
Rot. Bonds7

About 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene

1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene (PubChem CID 46217869) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene
PubChem CID46217869
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene
SMILESCCC(C)OCCc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H26O/c1-3-19(2)25-17-16-22-14-15-23(20-10-6-4-7-11-20)18-24(22)21-12-8-5-9-13-21/h4-15,18-19H,3,16-17H2,1-2H3
InChIKeyIJXLCPNXJXBMLU-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene?
The IUPAC name of 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene (CID 46217869) is 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene.
What is the SMILES notation for 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene?
The canonical SMILES for 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene is CCC(C)OCCc1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene?
The InChIKey is IJXLCPNXJXBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-3-19(2)25-17-16-22-14-15-23(20-10-6-4-7-11-20)18-24(22)21-12-8-5-9-13-21/h4-15,18-19H,3,16-17H2,1-2H3.
What are the key properties of 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene?
1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene has a molecular weight of 330.47 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethyl)-2,4-diphenylbenzene is sourced from PubChem (CID 46217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).