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

C20H26O — CID 66867404

IUPAC4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol
SMILESCCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C20H26O/c1-5-10-17-15(6-2)13-14-18(21)19(17)20(3,4)16-11-8-7-9-12-16/h7-9,11-14,21H,5-6,10H2,1-4H3
InChIKeyTZOMAGIKMJTWMI-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.23
Rot. Bonds5

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

4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol (PubChem CID 66867404) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol.

Molecular Properties

Compound Name4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol
PubChem CID66867404
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol
SMILESCCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C20H26O/c1-5-10-17-15(6-2)13-14-18(21)19(17)20(3,4)16-11-8-7-9-12-16/h7-9,11-14,21H,5-6,10H2,1-4H3
InChIKeyTZOMAGIKMJTWMI-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66867781
3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66866598
3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865536
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-phenyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865698
4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
CID 66868015
4-pentyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
CID 66865790
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
3-heptan-4-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866433
3-decyl-4-ethyl-2-phenylphenol
CID 66867433

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol?
The IUPAC name of 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol (CID 66867404) is 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol.
What is the SMILES notation for 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol?
The canonical SMILES for 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol is CCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1.
What is the InChIKey of 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol?
The InChIKey is TZOMAGIKMJTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-5-10-17-15(6-2)13-14-18(21)19(17)20(3,4)16-11-8-7-9-12-16/h7-9,11-14,21H,5-6,10H2,1-4H3.
What are the key properties of 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol?
4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol has a molecular weight of 282.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-phenylpropan-2-yl)-3-propylphenol is sourced from PubChem (CID 66867404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).