2,4-bis(2,4-dimethylheptan-2-yl)phenol

C24H42O — CID 20502107

IUPAC2,4-bis(2,4-dimethylheptan-2-yl)phenol
SMILESCCCC(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)CCC)c1
InChIInChI=1S/C24H42O/c1-9-11-18(3)16-23(5,6)20-13-14-22(25)21(15-20)24(7,8)17-19(4)12-10-2/h13-15,18-19,25H,9-12,16-17H2,1-8H3
InChIKeyMOQHZGCCXNGUPE-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.60
Rot. Bonds10

About 2,4-bis(2,4-dimethylheptan-2-yl)phenol

2,4-bis(2,4-dimethylheptan-2-yl)phenol (PubChem CID 20502107) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2,4-bis(2,4-dimethylheptan-2-yl)phenol.

Molecular Properties

Compound Name2,4-bis(2,4-dimethylheptan-2-yl)phenol
PubChem CID20502107
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2,4-bis(2,4-dimethylheptan-2-yl)phenol
SMILESCCCC(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)CCC)c1
InChIInChI=1S/C24H42O/c1-9-11-18(3)16-23(5,6)20-13-14-22(25)21(15-20)24(7,8)17-19(4)12-10-2/h13-15,18-19,25H,9-12,16-17H2,1-8H3
InChIKeyMOQHZGCCXNGUPE-UHFFFAOYSA-N
XLogP7.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-bis(2,4-dimethylheptan-2-yl)phenol 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 2,4-bis(2,4-dimethylheptan-2-yl)phenol?
The IUPAC name of 2,4-bis(2,4-dimethylheptan-2-yl)phenol (CID 20502107) is 2,4-bis(2,4-dimethylheptan-2-yl)phenol.
What is the SMILES notation for 2,4-bis(2,4-dimethylheptan-2-yl)phenol?
The canonical SMILES for 2,4-bis(2,4-dimethylheptan-2-yl)phenol is CCCC(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)CCC)c1.
What is the InChIKey of 2,4-bis(2,4-dimethylheptan-2-yl)phenol?
The InChIKey is MOQHZGCCXNGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-9-11-18(3)16-23(5,6)20-13-14-22(25)21(15-20)24(7,8)17-19(4)12-10-2/h13-15,18-19,25H,9-12,16-17H2,1-8H3.
What are the key properties of 2,4-bis(2,4-dimethylheptan-2-yl)phenol?
2,4-bis(2,4-dimethylheptan-2-yl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.60, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,4-dimethylheptan-2-yl)phenol is sourced from PubChem (CID 20502107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).