2-dodecylphenol;phosphoric acid

C18H33O5P — CID 67396083

IUPAC2-dodecylphenol;phosphoric acid
SMILESCCCCCCCCCCCCc1ccccc1O.O=P(O)(O)O
InChIInChI=1S/C18H30O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;1-5(2,3)4/h12-13,15-16,19H,2-11,14H2,1H3;(H3,1,2,3,4)
InChIKeyLAGMWBCXKYSRAL-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.93
Rot. Bonds11

About 2-dodecylphenol;phosphoric acid

2-dodecylphenol;phosphoric acid (PubChem CID 67396083) has the molecular formula C18H33O5P and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-dodecylphenol;phosphoric acid.

Molecular Properties

Compound Name2-dodecylphenol;phosphoric acid
PubChem CID67396083
Molecular FormulaC18H33O5P
Molecular Weight360.43 g/mol
Exact Mass360.21
IUPAC Name2-dodecylphenol;phosphoric acid
SMILESCCCCCCCCCCCCc1ccccc1O.O=P(O)(O)O
InChIInChI=1S/C18H30O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;1-5(2,3)4/h12-13,15-16,19H,2-11,14H2,1H3;(H3,1,2,3,4)
InChIKeyLAGMWBCXKYSRAL-UHFFFAOYSA-N
XLogP4.93
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
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
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formic acid;2-hexylphenol
CID 174867354

Frequently Asked Questions

What is the IUPAC name of 2-dodecylphenol;phosphoric acid?
The IUPAC name of 2-dodecylphenol;phosphoric acid (CID 67396083) is 2-dodecylphenol;phosphoric acid.
What is the SMILES notation for 2-dodecylphenol;phosphoric acid?
The canonical SMILES for 2-dodecylphenol;phosphoric acid is CCCCCCCCCCCCc1ccccc1O.O=P(O)(O)O.
What is the InChIKey of 2-dodecylphenol;phosphoric acid?
The InChIKey is LAGMWBCXKYSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;1-5(2,3)4/h12-13,15-16,19H,2-11,14H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-dodecylphenol;phosphoric acid?
2-dodecylphenol;phosphoric acid has a molecular weight of 360.43 g/mol, XLogP of 4.93, 11 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylphenol;phosphoric acid is sourced from PubChem (CID 67396083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).