2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C23H32O — CID 22644018

IUPAC2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H32O/c1-21(2,3)16-22(4,5)18-13-14-20(24)19(15-18)23(6,7)17-11-9-8-10-12-17/h8-15,24H,16H2,1-7H3
InChIKeyONHZKWDILKBQLS-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.43
Rot. Bonds4

About 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 22644018) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID22644018
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H32O/c1-21(2,3)16-22(4,5)18-13-14-20(24)19(15-18)23(6,7)17-11-9-8-10-12-17/h8-15,24H,16H2,1-7H3
InChIKeyONHZKWDILKBQLS-UHFFFAOYSA-N
XLogP6.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 22644018) is 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ONHZKWDILKBQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O/c1-21(2,3)16-22(4,5)18-13-14-20(24)19(15-18)23(6,7)17-11-9-8-10-12-17/h8-15,24H,16H2,1-7H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 324.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 22644018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).