3-ethyl-2-octylphenol

C16H26O — CID 66867297

IUPAC3-ethyl-2-octylphenol
SMILESCCCCCCCCc1c(O)cccc1CC
InChIInChI=1S/C16H26O/c1-3-5-6-7-8-9-12-15-14(4-2)11-10-13-16(15)17/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyVHJIUJROBSJFCM-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.86
Rot. Bonds8

About 3-ethyl-2-octylphenol

3-ethyl-2-octylphenol (PubChem CID 66867297) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-ethyl-2-octylphenol.

Molecular Properties

Compound Name3-ethyl-2-octylphenol
PubChem CID66867297
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-ethyl-2-octylphenol
SMILESCCCCCCCCc1c(O)cccc1CC
InChIInChI=1S/C16H26O/c1-3-5-6-7-8-9-12-15-14(4-2)11-10-13-16(15)17/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyVHJIUJROBSJFCM-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.86
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

2,3-di(nonadecyl)phenol
CID 151687635
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
2-pentylbenzene-1,3-diol
CID 15007741
2-dodecyl-3-(10-sulfanyldecyl)phenol
CID 151416798
(2-dodecyl-3-hydroxyphenyl)methyl-trimethylazanium
CID 88796125
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-octylphenol?
The IUPAC name of 3-ethyl-2-octylphenol (CID 66867297) is 3-ethyl-2-octylphenol.
What is the SMILES notation for 3-ethyl-2-octylphenol?
The canonical SMILES for 3-ethyl-2-octylphenol is CCCCCCCCc1c(O)cccc1CC.
What is the InChIKey of 3-ethyl-2-octylphenol?
The InChIKey is VHJIUJROBSJFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-6-7-8-9-12-15-14(4-2)11-10-13-16(15)17/h10-11,13,17H,3-9,12H2,1-2H3.
What are the key properties of 3-ethyl-2-octylphenol?
3-ethyl-2-octylphenol has a molecular weight of 234.38 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-octylphenol is sourced from PubChem (CID 66867297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).