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

C27H40O — CID 66866598

IUPAC3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
SMILESCCCCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C27H40O/c1-5-7-8-9-10-11-15-19-24-22(16-6-2)20-21-25(28)26(24)27(3,4)23-17-13-12-14-18-23/h12-14,17-18,20-21,28H,5-11,15-16,19H2,1-4H3
InChIKeyVVJANQINQAYDET-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.96
Rot. Bonds12

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

3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol (PubChem CID 66866598) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol.

Molecular Properties

Compound Name3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
PubChem CID66866598
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
SMILESCCCCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C27H40O/c1-5-7-8-9-10-11-15-19-24-22(16-6-2)20-21-25(28)26(24)27(3,4)23-17-13-12-14-18-23/h12-14,17-18,20-21,28H,5-11,15-16,19H2,1-4H3
InChIKeyVVJANQINQAYDET-UHFFFAOYSA-N
XLogP7.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.96
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-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
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-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The IUPAC name of 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol (CID 66866598) is 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol.
What is the SMILES notation for 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The canonical SMILES for 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol is CCCCCCCCCc1c(CCC)ccc(O)c1C(C)(C)c1ccccc1.
What is the InChIKey of 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
The InChIKey is VVJANQINQAYDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-5-7-8-9-10-11-15-19-24-22(16-6-2)20-21-25(28)26(24)27(3,4)23-17-13-12-14-18-23/h12-14,17-18,20-21,28H,5-11,15-16,19H2,1-4H3.
What are the key properties of 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol?
3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol has a molecular weight of 380.62 g/mol, XLogP of 7.96, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol is sourced from PubChem (CID 66866598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).