2-cyclododecylphenol

C18H28O — CID 22381643

IUPAC2-cyclododecylphenol
SMILESOc1ccccc1C1CCCCCCCCCCC1
InChIInChI=1S/C18H28O/c19-18-15-11-10-14-17(18)16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16,19H,1-9,12-13H2
InChIKeyIHRMORKSPQLLPZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.78
Rot. Bonds1

About 2-cyclododecylphenol

2-cyclododecylphenol (PubChem CID 22381643) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-cyclododecylphenol.

Molecular Properties

Compound Name2-cyclododecylphenol
PubChem CID22381643
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-cyclododecylphenol
SMILESOc1ccccc1C1CCCCCCCCCCC1
InChIInChI=1S/C18H28O/c19-18-15-11-10-14-17(18)16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16,19H,1-9,12-13H2
InChIKeyIHRMORKSPQLLPZ-UHFFFAOYSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclododecylphenol?
The IUPAC name of 2-cyclododecylphenol (CID 22381643) is 2-cyclododecylphenol.
What is the SMILES notation for 2-cyclododecylphenol?
The canonical SMILES for 2-cyclododecylphenol is Oc1ccccc1C1CCCCCCCCCCC1.
What is the InChIKey of 2-cyclododecylphenol?
The InChIKey is IHRMORKSPQLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c19-18-15-11-10-14-17(18)16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16,19H,1-9,12-13H2.
What are the key properties of 2-cyclododecylphenol?
2-cyclododecylphenol has a molecular weight of 260.42 g/mol, XLogP of 5.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecylphenol is sourced from PubChem (CID 22381643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).