2-(12-phenyldodecyl)phenol

C24H34O — CID 70505621

IUPAC2-(12-phenyldodecyl)phenol
SMILESOc1ccccc1CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C24H34O/c25-24-21-15-14-20-23(24)19-13-8-6-4-2-1-3-5-7-10-16-22-17-11-9-12-18-22/h9,11-12,14-15,17-18,20-21,25H,1-8,10,13,16,19H2
InChIKeyNYJXERRAAIUYSG-UHFFFAOYSA-N
MW338.53 g/mol
LogP7.08
Rot. Bonds13

About 2-(12-phenyldodecyl)phenol

2-(12-phenyldodecyl)phenol (PubChem CID 70505621) has the molecular formula C24H34O and a molecular weight of 338.53 g/mol. Its IUPAC name is 2-(12-phenyldodecyl)phenol.

Molecular Properties

Compound Name2-(12-phenyldodecyl)phenol
PubChem CID70505621
Molecular FormulaC24H34O
Molecular Weight338.53 g/mol
Exact Mass338.26
IUPAC Name2-(12-phenyldodecyl)phenol
SMILESOc1ccccc1CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C24H34O/c25-24-21-15-14-20-23(24)19-13-8-6-4-2-1-3-5-7-10-16-22-17-11-9-12-18-22/h9,11-12,14-15,17-18,20-21,25H,1-8,10,13,16,19H2
InChIKeyNYJXERRAAIUYSG-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(12-phenyldodecyl)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-(2-phenylethyl)phenol;hydrate
CID 157150935
2-(6-phenylhexoxymethyl)phenol
CID 67178479
2-dodecylphenol
CID 160834917
4-phenylbutylbenzene
CID 141301927
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
CID 69025009
CID 69025009
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
2-(7-phenoxyheptyl)phenol
CID 141346388
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-(8,8-diphenyloctyl)phenol
CID 66867292

Frequently Asked Questions

What is the IUPAC name of 2-(12-phenyldodecyl)phenol?
The IUPAC name of 2-(12-phenyldodecyl)phenol (CID 70505621) is 2-(12-phenyldodecyl)phenol.
What is the SMILES notation for 2-(12-phenyldodecyl)phenol?
The canonical SMILES for 2-(12-phenyldodecyl)phenol is Oc1ccccc1CCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 2-(12-phenyldodecyl)phenol?
The InChIKey is NYJXERRAAIUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c25-24-21-15-14-20-23(24)19-13-8-6-4-2-1-3-5-7-10-16-22-17-11-9-12-18-22/h9,11-12,14-15,17-18,20-21,25H,1-8,10,13,16,19H2.
What are the key properties of 2-(12-phenyldodecyl)phenol?
2-(12-phenyldodecyl)phenol has a molecular weight of 338.53 g/mol, XLogP of 7.08, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-phenyldodecyl)phenol is sourced from PubChem (CID 70505621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).