2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol

C25H36O — CID 67225679

IUPAC2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol
SMILESCCCc1ccc(C(C)(C)Cc2ccccc2O)c(CCC)c1CCC
InChIInChI=1S/C25H36O/c1-6-11-19-16-17-23(22(13-8-3)21(19)12-7-2)25(4,5)18-20-14-9-10-15-24(20)26/h9-10,14-17,26H,6-8,11-13,18H2,1-5H3
InChIKeyCKNNDYBRVMKFOT-UHFFFAOYSA-N
MW352.56 g/mol
LogP6.77
Rot. Bonds9

About 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol

2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol (PubChem CID 67225679) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol.

Molecular Properties

Compound Name2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol
PubChem CID67225679
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol
SMILESCCCc1ccc(C(C)(C)Cc2ccccc2O)c(CCC)c1CCC
InChIInChI=1S/C25H36O/c1-6-11-19-16-17-23(22(13-8-3)21(19)12-7-2)25(4,5)18-20-14-9-10-15-24(20)26/h9-10,14-17,26H,6-8,11-13,18H2,1-5H3
InChIKeyCKNNDYBRVMKFOT-UHFFFAOYSA-N
XLogP6.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol?
The IUPAC name of 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol (CID 67225679) is 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol.
What is the SMILES notation for 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol?
The canonical SMILES for 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol is CCCc1ccc(C(C)(C)Cc2ccccc2O)c(CCC)c1CCC.
What is the InChIKey of 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol?
The InChIKey is CKNNDYBRVMKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-6-11-19-16-17-23(22(13-8-3)21(19)12-7-2)25(4,5)18-20-14-9-10-15-24(20)26/h9-10,14-17,26H,6-8,11-13,18H2,1-5H3.
What are the key properties of 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol?
2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol has a molecular weight of 352.56 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(2,3,4-tripropylphenyl)propyl]phenol is sourced from PubChem (CID 67225679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).