2-dodecylphenol

C36H60O2 — CID 160834917

IUPAC2-dodecylphenol
SMILESCCCCCCCCCCCCc1ccccc1O.CCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/2C18H30O/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h2*12-13,15-16,19H,2-11,14H2,1H3
InChIKeySHHASVFOSNOCBJ-UHFFFAOYSA-N
MW524.87 g/mol
LogP11.71
Rot. Bonds22

About 2-dodecylphenol

2-dodecylphenol (PubChem CID 160834917) has the molecular formula C36H60O2 and a molecular weight of 524.87 g/mol. Its IUPAC name is 2-dodecylphenol.

Molecular Properties

Compound Name2-dodecylphenol
PubChem CID160834917
Molecular FormulaC36H60O2
Molecular Weight524.87 g/mol
Exact Mass524.46
IUPAC Name2-dodecylphenol
SMILESCCCCCCCCCCCCc1ccccc1O.CCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/2C18H30O/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h2*12-13,15-16,19H,2-11,14H2,1H3
InChIKeySHHASVFOSNOCBJ-UHFFFAOYSA-N
XLogP11.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.87
LogP ≤ 511.71
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

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
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of 2-dodecylphenol?
The IUPAC name of 2-dodecylphenol (CID 160834917) is 2-dodecylphenol.
What is the SMILES notation for 2-dodecylphenol?
The canonical SMILES for 2-dodecylphenol is CCCCCCCCCCCCc1ccccc1O.CCCCCCCCCCCCc1ccccc1O.
What is the InChIKey of 2-dodecylphenol?
The InChIKey is SHHASVFOSNOCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H30O/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h2*12-13,15-16,19H,2-11,14H2,1H3.
What are the key properties of 2-dodecylphenol?
2-dodecylphenol has a molecular weight of 524.87 g/mol, XLogP of 11.71, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylphenol is sourced from PubChem (CID 160834917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).