3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol

C25H36O — CID 66865536

IUPAC3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
SMILESCCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C25H36O/c1-5-7-8-9-13-17-22-20(14-6-2)18-19-23(26)24(22)25(3,4)21-15-11-10-12-16-21/h10-12,15-16,18-19,26H,5-9,13-14,17H2,1-4H3
InChIKeyZUOUHDGIFDWIQQ-UHFFFAOYSA-N
MW352.56 g/mol
LogP7.18
Rot. Bonds10

About 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol

3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol (PubChem CID 66865536) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol.

Molecular Properties

Compound Name3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
PubChem CID66865536
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
SMILESCCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C25H36O/c1-5-7-8-9-13-17-22-20(14-6-2)18-19-23(26)24(22)25(3,4)21-15-11-10-12-16-21/h10-12,15-16,18-19,26H,5-9,13-14,17H2,1-4H3
InChIKeyZUOUHDGIFDWIQQ-UHFFFAOYSA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66866598
3-dodecyl-4-hexyl-2-(2-phenylpropan-2-yl)phenol
CID 66866753
4-butyl-3-dodecyl-2-(2-phenylpropan-2-yl)phenol
CID 66866156
4-butyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866749
4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66867781
4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol
CID 66867404
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
CID 66865790
3-phenyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865698
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
2-pentyl-3,4-dipropylphenol
CID 66866454

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The IUPAC name of 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol (CID 66865536) is 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol.
What is the SMILES notation for 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The canonical SMILES for 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol is CCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1.
What is the InChIKey of 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The InChIKey is ZUOUHDGIFDWIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-5-7-8-9-13-17-22-20(14-6-2)18-19-23(26)24(22)25(3,4)21-15-11-10-12-16-21/h10-12,15-16,18-19,26H,5-9,13-14,17H2,1-4H3.
What are the key properties of 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol has a molecular weight of 352.56 g/mol, XLogP of 7.18, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol is sourced from PubChem (CID 66865536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).