2-nonylphenol;pentan-1-ol

C20H36O2 — CID 70367302

IUPAC2-nonylphenol;pentan-1-ol
SMILESCCCCCCCCCc1ccccc1O.CCCCCO
InChIInChI=1S/C15H24O.C5H12O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6/h9-10,12-13,16H,2-8,11H2,1H3;6H,2-5H2,1H3
InChIKeyOYODVUJFOZFVNH-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.85
Rot. Bonds11

About 2-nonylphenol;pentan-1-ol

2-nonylphenol;pentan-1-ol (PubChem CID 70367302) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-nonylphenol;pentan-1-ol.

Molecular Properties

Compound Name2-nonylphenol;pentan-1-ol
PubChem CID70367302
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-nonylphenol;pentan-1-ol
SMILESCCCCCCCCCc1ccccc1O.CCCCCO
InChIInChI=1S/C15H24O.C5H12O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6/h9-10,12-13,16H,2-8,11H2,1H3;6H,2-5H2,1H3
InChIKeyOYODVUJFOZFVNH-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 2-nonylphenol;pentan-1-ol?
The IUPAC name of 2-nonylphenol;pentan-1-ol (CID 70367302) is 2-nonylphenol;pentan-1-ol.
What is the SMILES notation for 2-nonylphenol;pentan-1-ol?
The canonical SMILES for 2-nonylphenol;pentan-1-ol is CCCCCCCCCc1ccccc1O.CCCCCO.
What is the InChIKey of 2-nonylphenol;pentan-1-ol?
The InChIKey is OYODVUJFOZFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C5H12O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6/h9-10,12-13,16H,2-8,11H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-nonylphenol;pentan-1-ol?
2-nonylphenol;pentan-1-ol has a molecular weight of 308.51 g/mol, XLogP of 5.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylphenol;pentan-1-ol is sourced from PubChem (CID 70367302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).