2-ethyl-5-nonylphenol

C17H28O — CID 54394722

IUPAC2-ethyl-5-nonylphenol
SMILESCCCCCCCCCc1ccc(CC)c(O)c1
InChIInChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-15-12-13-16(4-2)17(18)14-15/h12-14,18H,3-11H2,1-2H3
InChIKeyVJDAESVUJFHCTL-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.25
Rot. Bonds9

About 2-ethyl-5-nonylphenol

2-ethyl-5-nonylphenol (PubChem CID 54394722) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-5-nonylphenol.

Molecular Properties

Compound Name2-ethyl-5-nonylphenol
PubChem CID54394722
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-ethyl-5-nonylphenol
SMILESCCCCCCCCCc1ccc(CC)c(O)c1
InChIInChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-15-12-13-16(4-2)17(18)14-15/h12-14,18H,3-11H2,1-2H3
InChIKeyVJDAESVUJFHCTL-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-4-heptylphenol
CID 58289223
2-ethyl-5-propylphenol
CID 522454
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
2-benzyl-5-pentadecylphenol
CID 10938093
4-nonyl-2-pentylphenol
CID 86162849
2-iodo-5-pentadecylphenol
CID 11953466
CID 175900742
CID 175900742
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-nonylphenol?
The IUPAC name of 2-ethyl-5-nonylphenol (CID 54394722) is 2-ethyl-5-nonylphenol.
What is the SMILES notation for 2-ethyl-5-nonylphenol?
The canonical SMILES for 2-ethyl-5-nonylphenol is CCCCCCCCCc1ccc(CC)c(O)c1.
What is the InChIKey of 2-ethyl-5-nonylphenol?
The InChIKey is VJDAESVUJFHCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-15-12-13-16(4-2)17(18)14-15/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-5-nonylphenol?
2-ethyl-5-nonylphenol has a molecular weight of 248.41 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-nonylphenol is sourced from PubChem (CID 54394722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).