4-ethyl-3-hexyl-2-octylphenol

C22H38O — CID 66866506

IUPAC4-ethyl-3-hexyl-2-octylphenol
SMILESCCCCCCCCc1c(O)ccc(CC)c1CCCCCC
InChIInChI=1S/C22H38O/c1-4-7-9-11-12-14-16-21-20(15-13-10-8-5-2)19(6-3)17-18-22(21)23/h17-18,23H,4-16H2,1-3H3
InChIKeyUYZNOAPYLNIVAK-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.98
Rot. Bonds13

About 4-ethyl-3-hexyl-2-octylphenol

4-ethyl-3-hexyl-2-octylphenol (PubChem CID 66866506) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 4-ethyl-3-hexyl-2-octylphenol.

Molecular Properties

Compound Name4-ethyl-3-hexyl-2-octylphenol
PubChem CID66866506
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name4-ethyl-3-hexyl-2-octylphenol
SMILESCCCCCCCCc1c(O)ccc(CC)c1CCCCCC
InChIInChI=1S/C22H38O/c1-4-7-9-11-12-14-16-21-20(15-13-10-8-5-2)19(6-3)17-18-22(21)23/h17-18,23H,4-16H2,1-3H3
InChIKeyUYZNOAPYLNIVAK-UHFFFAOYSA-N
XLogP6.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.98
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

4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2,3-dihexylbenzene-1,4-diol
CID 69329716
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
3-ethyl-2-octylphenol
CID 66867297
2-pentyl-3,4-dipropylphenol
CID 66866454
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
3,4-bis(2-aminoethyl)-2-nonylphenol
CID 160520570

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hexyl-2-octylphenol?
The IUPAC name of 4-ethyl-3-hexyl-2-octylphenol (CID 66866506) is 4-ethyl-3-hexyl-2-octylphenol.
What is the SMILES notation for 4-ethyl-3-hexyl-2-octylphenol?
The canonical SMILES for 4-ethyl-3-hexyl-2-octylphenol is CCCCCCCCc1c(O)ccc(CC)c1CCCCCC.
What is the InChIKey of 4-ethyl-3-hexyl-2-octylphenol?
The InChIKey is UYZNOAPYLNIVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-4-7-9-11-12-14-16-21-20(15-13-10-8-5-2)19(6-3)17-18-22(21)23/h17-18,23H,4-16H2,1-3H3.
What are the key properties of 4-ethyl-3-hexyl-2-octylphenol?
4-ethyl-3-hexyl-2-octylphenol has a molecular weight of 318.55 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-hexyl-2-octylphenol is sourced from PubChem (CID 66866506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).