4-phenyl-2,6-dipropylphenol

C18H22O — CID 66879307

IUPAC4-phenyl-2,6-dipropylphenol
SMILESCCCc1cc(-c2ccccc2)cc(CCC)c1O
InChIInChI=1S/C18H22O/c1-3-8-15-12-17(14-10-6-5-7-11-14)13-16(9-4-2)18(15)19/h5-7,10-13,19H,3-4,8-9H2,1-2H3
InChIKeyKHJZYKRUOFKZRV-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.96
Rot. Bonds5

About 4-phenyl-2,6-dipropylphenol

4-phenyl-2,6-dipropylphenol (PubChem CID 66879307) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-phenyl-2,6-dipropylphenol.

Molecular Properties

Compound Name4-phenyl-2,6-dipropylphenol
PubChem CID66879307
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-phenyl-2,6-dipropylphenol
SMILESCCCc1cc(-c2ccccc2)cc(CCC)c1O
InChIInChI=1S/C18H22O/c1-3-8-15-12-17(14-10-6-5-7-11-14)13-16(9-4-2)18(15)19/h5-7,10-13,19H,3-4,8-9H2,1-2H3
InChIKeyKHJZYKRUOFKZRV-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-2,6-dipropylphenol 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 4-phenyl-2,6-dipropylphenol?
The IUPAC name of 4-phenyl-2,6-dipropylphenol (CID 66879307) is 4-phenyl-2,6-dipropylphenol.
What is the SMILES notation for 4-phenyl-2,6-dipropylphenol?
The canonical SMILES for 4-phenyl-2,6-dipropylphenol is CCCc1cc(-c2ccccc2)cc(CCC)c1O.
What is the InChIKey of 4-phenyl-2,6-dipropylphenol?
The InChIKey is KHJZYKRUOFKZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-8-15-12-17(14-10-6-5-7-11-14)13-16(9-4-2)18(15)19/h5-7,10-13,19H,3-4,8-9H2,1-2H3.
What are the key properties of 4-phenyl-2,6-dipropylphenol?
4-phenyl-2,6-dipropylphenol has a molecular weight of 254.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-dipropylphenol is sourced from PubChem (CID 66879307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).