2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol

C21H28O — CID 67179776

IUPAC2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol
SMILESCCc1ccc(C(C)(C)c2ccccc2O)c(CC)c1CC
InChIInChI=1S/C21H28O/c1-6-15-13-14-18(17(8-3)16(15)7-2)21(4,5)19-11-9-10-12-20(19)22/h9-14,22H,6-8H2,1-5H3
InChIKeyLHEKQWUQXKRPFU-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.41
Rot. Bonds5

About 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol

2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol (PubChem CID 67179776) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol
PubChem CID67179776
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol
SMILESCCc1ccc(C(C)(C)c2ccccc2O)c(CC)c1CC
InChIInChI=1S/C21H28O/c1-6-15-13-14-18(17(8-3)16(15)7-2)21(4,5)19-11-9-10-12-20(19)22/h9-14,22H,6-8H2,1-5H3
InChIKeyLHEKQWUQXKRPFU-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol?
The IUPAC name of 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol (CID 67179776) is 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol is CCc1ccc(C(C)(C)c2ccccc2O)c(CC)c1CC.
What is the InChIKey of 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol?
The InChIKey is LHEKQWUQXKRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-6-15-13-14-18(17(8-3)16(15)7-2)21(4,5)19-11-9-10-12-20(19)22/h9-14,22H,6-8H2,1-5H3.
What are the key properties of 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol?
2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol has a molecular weight of 296.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 67179776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).