formaldehyde;2-octadecylphenol

C25H44O2 — CID 67830879

IUPACformaldehyde;2-octadecylphenol
SMILESC=O.CCCCCCCCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/C24H42O.CH2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25;1-2/h18-19,21-22,25H,2-17,20H2,1H3;1H2
InChIKeyORNJMWMYGFDYFG-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.01
Rot. Bonds17

About formaldehyde;2-octadecylphenol

formaldehyde;2-octadecylphenol (PubChem CID 67830879) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is formaldehyde;2-octadecylphenol.

Molecular Properties

Compound Nameformaldehyde;2-octadecylphenol
PubChem CID67830879
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Nameformaldehyde;2-octadecylphenol
SMILESC=O.CCCCCCCCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/C24H42O.CH2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25;1-2/h18-19,21-22,25H,2-17,20H2,1H3;1H2
InChIKeyORNJMWMYGFDYFG-UHFFFAOYSA-N
XLogP8.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.01
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

formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
ethene;2-nonylphenol
CID 66616289
2-dodecylphenol
CID 160834917
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
CID 69025009
CID 69025009
carbonic acid;bis(2-nonylphenol)
CID 69221300
lithium;2-dodecylphenol;hydride
CID 174657819
2-decylphenol;hydrazine
CID 159983030
disodium;hydride;2-nonylphenol
CID 175531956
2-dodecylphenol;phosphoric acid
CID 67396083
2-nonylphenol;oxaldehyde
CID 18943315

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-octadecylphenol?
The IUPAC name of formaldehyde;2-octadecylphenol (CID 67830879) is formaldehyde;2-octadecylphenol.
What is the SMILES notation for formaldehyde;2-octadecylphenol?
The canonical SMILES for formaldehyde;2-octadecylphenol is C=O.CCCCCCCCCCCCCCCCCCc1ccccc1O.
What is the InChIKey of formaldehyde;2-octadecylphenol?
The InChIKey is ORNJMWMYGFDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O.CH2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25;1-2/h18-19,21-22,25H,2-17,20H2,1H3;1H2.
What are the key properties of formaldehyde;2-octadecylphenol?
formaldehyde;2-octadecylphenol has a molecular weight of 376.63 g/mol, XLogP of 8.01, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-octadecylphenol is sourced from PubChem (CID 67830879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).