dodecane;phenol

C18H32O — CID 157210063

IUPACdodecane;phenol
SMILESCCCCCCCCCCCC.Oc1ccccc1
InChIInChI=1S/C12H26.C6H6O/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5,7H
InChIKeyARUDARBYJOAWOI-UHFFFAOYSA-N
MW264.45 g/mol
LogP6.32
Rot. Bonds9

About dodecane;phenol

dodecane;phenol (PubChem CID 157210063) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is dodecane;phenol.

Molecular Properties

Compound Namedodecane;phenol
PubChem CID157210063
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Namedodecane;phenol
SMILESCCCCCCCCCCCC.Oc1ccccc1
InChIInChI=1S/C12H26.C6H6O/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5,7H
InChIKeyARUDARBYJOAWOI-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 56.32
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

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N,N-dibutylbutan-1-amine;phenol
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Frequently Asked Questions

What is the IUPAC name of dodecane;phenol?
The IUPAC name of dodecane;phenol (CID 157210063) is dodecane;phenol.
What is the SMILES notation for dodecane;phenol?
The canonical SMILES for dodecane;phenol is CCCCCCCCCCCC.Oc1ccccc1.
What is the InChIKey of dodecane;phenol?
The InChIKey is ARUDARBYJOAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C6H6O/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5,7H.
What are the key properties of dodecane;phenol?
dodecane;phenol has a molecular weight of 264.45 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;phenol is sourced from PubChem (CID 157210063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).