2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol

C28H42O — CID 66866746

IUPAC2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
SMILESCCCCCCC(CCCCCC)c1ccccc1C(C)(C)c1ccccc1O
InChIInChI=1S/C28H42O/c1-5-7-9-11-17-23(18-12-10-8-6-2)24-19-13-14-20-25(24)28(3,4)26-21-15-16-22-27(26)29/h13-16,19-23,29H,5-12,17-18H2,1-4H3
InChIKeySMMUSRTVTZDBOJ-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.74
Rot. Bonds13

About 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol

2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol (PubChem CID 66866746) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
PubChem CID66866746
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
SMILESCCCCCCC(CCCCCC)c1ccccc1C(C)(C)c1ccccc1O
InChIInChI=1S/C28H42O/c1-5-7-9-11-17-23(18-12-10-8-6-2)24-19-13-14-20-25(24)28(3,4)26-21-15-16-22-27(26)29/h13-16,19-23,29H,5-12,17-18H2,1-4H3
InChIKeySMMUSRTVTZDBOJ-UHFFFAOYSA-N
XLogP8.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentadecan-6-ylphenol
CID 66865451
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
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(2-phenylpropan-2-yl)-3-undecan-6-ylphenol
CID 66867061
2-icosan-9-ylaniline
CID 22408958
2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
CID 151349887
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
2-(2-nonan-3-ylphenyl)phenol
CID 66866452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol?
The IUPAC name of 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol (CID 66866746) is 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol is CCCCCCC(CCCCCC)c1ccccc1C(C)(C)c1ccccc1O.
What is the InChIKey of 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol?
The InChIKey is SMMUSRTVTZDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-5-7-9-11-17-23(18-12-10-8-6-2)24-19-13-14-20-25(24)28(3,4)26-21-15-16-22-27(26)29/h13-16,19-23,29H,5-12,17-18H2,1-4H3.
What are the key properties of 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol?
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol has a molecular weight of 394.64 g/mol, XLogP of 8.74, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 66866746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).