phenol;propane;1-propoxypropane

C15H28O2 — CID 162084226

IUPACphenol;propane;1-propoxypropane
SMILESCCC.CCCOCCC.Oc1ccccc1
InChIInChI=1S/C6H6O.C6H14O.C3H8/c7-6-4-2-1-3-5-6;1-3-5-7-6-4-2;1-3-2/h1-5,7H;3-6H2,1-2H3;3H2,1-2H3
InChIKeyZCTBOFCVJRXYTE-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds4

About phenol;propane;1-propoxypropane

phenol;propane;1-propoxypropane (PubChem CID 162084226) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is phenol;propane;1-propoxypropane.

Molecular Properties

Compound Namephenol;propane;1-propoxypropane
PubChem CID162084226
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namephenol;propane;1-propoxypropane
SMILESCCC.CCCOCCC.Oc1ccccc1
InChIInChI=1S/C6H6O.C6H14O.C3H8/c7-6-4-2-1-3-5-6;1-3-5-7-6-4-2;1-3-2/h1-5,7H;3-6H2,1-2H3;3H2,1-2H3
InChIKeyZCTBOFCVJRXYTE-UHFFFAOYSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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dodecane;phenol
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Frequently Asked Questions

What is the IUPAC name of phenol;propane;1-propoxypropane?
The IUPAC name of phenol;propane;1-propoxypropane (CID 162084226) is phenol;propane;1-propoxypropane.
What is the SMILES notation for phenol;propane;1-propoxypropane?
The canonical SMILES for phenol;propane;1-propoxypropane is CCC.CCCOCCC.Oc1ccccc1.
What is the InChIKey of phenol;propane;1-propoxypropane?
The InChIKey is ZCTBOFCVJRXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H14O.C3H8/c7-6-4-2-1-3-5-6;1-3-5-7-6-4-2;1-3-2/h1-5,7H;3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of phenol;propane;1-propoxypropane?
phenol;propane;1-propoxypropane has a molecular weight of 240.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propane;1-propoxypropane is sourced from PubChem (CID 162084226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).