1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene

C24H26O — CID 173271154

IUPAC1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(-c2ccc(Oc3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C24H26O/c1-17(2)20-12-15-23(24(16-20)18(3)4)19-10-13-22(14-11-19)25-21-8-6-5-7-9-21/h5-18H,1-4H3
InChIKeyRXZMTOGJGBTBNA-UHFFFAOYSA-N
MW330.47 g/mol
LogP7.39
Rot. Bonds5

About 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene

1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene (PubChem CID 173271154) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
PubChem CID173271154
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(-c2ccc(Oc3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C24H26O/c1-17(2)20-12-15-23(24(16-20)18(3)4)19-10-13-22(14-11-19)25-21-8-6-5-7-9-21/h5-18H,1-4H3
InChIKeyRXZMTOGJGBTBNA-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene (CID 173271154) is 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene is CC(C)c1ccc(-c2ccc(Oc3ccccc3)cc2)c(C(C)C)c1.
What is the InChIKey of 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene?
The InChIKey is RXZMTOGJGBTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-17(2)20-12-15-23(24(16-20)18(3)4)19-10-13-22(14-11-19)25-21-8-6-5-7-9-21/h5-18H,1-4H3.
What are the key properties of 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene?
1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene has a molecular weight of 330.47 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 173271154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).