2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol

C26H38O — CID 66867061

IUPAC2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol
SMILESCCCCCC(CCCCC)c1cccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C26H38O/c1-5-7-10-15-21(16-11-8-6-2)23-19-14-20-24(27)25(23)26(3,4)22-17-12-9-13-18-22/h9,12-14,17-21,27H,5-8,10-11,15-16H2,1-4H3
InChIKeyMEJNUSFJMTTXCH-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.96
Rot. Bonds11

About 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol

2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol (PubChem CID 66867061) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol
PubChem CID66867061
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol
SMILESCCCCCC(CCCCC)c1cccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C26H38O/c1-5-7-10-15-21(16-11-8-6-2)23-19-14-20-24(27)25(23)26(3,4)22-17-12-9-13-18-22/h9,12-14,17-21,27H,5-8,10-11,15-16H2,1-4H3
InChIKeyMEJNUSFJMTTXCH-UHFFFAOYSA-N
XLogP7.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
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-octadecan-9-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866813
3-hexadecan-7-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866329
3-hexadecan-8-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866174
3-heptan-4-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866433
2-pentadecan-6-ylphenol
CID 66865451
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
3-dodecyl-4-hexyl-2-(2-phenylpropan-2-yl)phenol
CID 66866753

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol?
The IUPAC name of 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol (CID 66867061) is 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol is CCCCCC(CCCCC)c1cccc(O)c1C(C)(C)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol?
The InChIKey is MEJNUSFJMTTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-5-7-10-15-21(16-11-8-6-2)23-19-14-20-24(27)25(23)26(3,4)22-17-12-9-13-18-22/h9,12-14,17-21,27H,5-8,10-11,15-16H2,1-4H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol?
2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol has a molecular weight of 366.59 g/mol, XLogP of 7.96, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol is sourced from PubChem (CID 66867061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).