4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol

C26H30O — CID 66865790

IUPAC4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCCCCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30O/c1-4-5-8-13-21-18-19-23(27)25(24(21)20-14-9-6-10-15-20)26(2,3)22-16-11-7-12-17-22/h6-7,9-12,14-19,27H,4-5,8,13H2,1-3H3
InChIKeyNTZAUOBQBPLXCJ-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.12
Rot. Bonds7

About 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol

4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol (PubChem CID 66865790) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
PubChem CID66865790
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCCCCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30O/c1-4-5-8-13-21-18-19-23(27)25(24(21)20-14-9-6-10-15-20)26(2,3)22-16-11-7-12-17-22/h6-7,9-12,14-19,27H,4-5,8,13H2,1-3H3
InChIKeyNTZAUOBQBPLXCJ-UHFFFAOYSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.12
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-phenyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865698
4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
CID 66868015
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
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66866598
4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66867781
3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865536
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol
CID 66867404

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol (CID 66865790) is 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol is CCCCCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The InChIKey is NTZAUOBQBPLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-4-5-8-13-21-18-19-23(27)25(24(21)20-14-9-6-10-15-20)26(2,3)22-16-11-7-12-17-22/h6-7,9-12,14-19,27H,4-5,8,13H2,1-3H3.
What are the key properties of 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol has a molecular weight of 358.53 g/mol, XLogP of 7.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 66865790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).