formaldehyde;2-nonylphenol;2-octylphenol

C30H48O3 — CID 175344349

IUPACformaldehyde;2-nonylphenol;2-octylphenol
SMILESC=O.CCCCCCCCCc1ccccc1O.CCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.C14H22O.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-2/h9-10,12-13,16H,2-8,11H2,1H3;8-9,11-12,15H,2-7,10H2,1H3;1H2
InChIKeyDPHISZCIWRIPLW-UHFFFAOYSA-N
MW456.71 g/mol
LogP8.80
Rot. Bonds15

About formaldehyde;2-nonylphenol;2-octylphenol

formaldehyde;2-nonylphenol;2-octylphenol (PubChem CID 175344349) has the molecular formula C30H48O3 and a molecular weight of 456.71 g/mol. Its IUPAC name is formaldehyde;2-nonylphenol;2-octylphenol.

Molecular Properties

Compound Nameformaldehyde;2-nonylphenol;2-octylphenol
PubChem CID175344349
Molecular FormulaC30H48O3
Molecular Weight456.71 g/mol
Exact Mass456.36
IUPAC Nameformaldehyde;2-nonylphenol;2-octylphenol
SMILESC=O.CCCCCCCCCc1ccccc1O.CCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.C14H22O.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-2/h9-10,12-13,16H,2-8,11H2,1H3;8-9,11-12,15H,2-7,10H2,1H3;1H2
InChIKeyDPHISZCIWRIPLW-UHFFFAOYSA-N
XLogP8.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2-octadecylphenol
CID 67830879
ethene;2-nonylphenol
CID 66616289
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
carbonic acid;bis(2-nonylphenol)
CID 69221300
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formic acid;2-hexylphenol
CID 174867354
2-dodecylphenol;phosphoric acid
CID 67396083

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-nonylphenol;2-octylphenol?
The IUPAC name of formaldehyde;2-nonylphenol;2-octylphenol (CID 175344349) is formaldehyde;2-nonylphenol;2-octylphenol.
What is the SMILES notation for formaldehyde;2-nonylphenol;2-octylphenol?
The canonical SMILES for formaldehyde;2-nonylphenol;2-octylphenol is C=O.CCCCCCCCCc1ccccc1O.CCCCCCCCc1ccccc1O.
What is the InChIKey of formaldehyde;2-nonylphenol;2-octylphenol?
The InChIKey is DPHISZCIWRIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C14H22O.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-2/h9-10,12-13,16H,2-8,11H2,1H3;8-9,11-12,15H,2-7,10H2,1H3;1H2.
What are the key properties of formaldehyde;2-nonylphenol;2-octylphenol?
formaldehyde;2-nonylphenol;2-octylphenol has a molecular weight of 456.71 g/mol, XLogP of 8.80, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-nonylphenol;2-octylphenol is sourced from PubChem (CID 175344349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).