3-octyl-2-prop-1-enylphenol

C17H26O — CID 70012746

IUPAC3-octyl-2-prop-1-enylphenol
SMILESCC=Cc1c(O)cccc1CCCCCCCC
InChIInChI=1S/C17H26O/c1-3-5-6-7-8-9-12-15-13-10-14-17(18)16(15)11-4-2/h4,10-11,13-14,18H,3,5-9,12H2,1-2H3
InChIKeyLOHMMMDMVOQGNU-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.33
Rot. Bonds8

About 3-octyl-2-prop-1-enylphenol

3-octyl-2-prop-1-enylphenol (PubChem CID 70012746) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-octyl-2-prop-1-enylphenol.

Molecular Properties

Compound Name3-octyl-2-prop-1-enylphenol
PubChem CID70012746
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-octyl-2-prop-1-enylphenol
SMILESCC=Cc1c(O)cccc1CCCCCCCC
InChIInChI=1S/C17H26O/c1-3-5-6-7-8-9-12-15-13-10-14-17(18)16(15)11-4-2/h4,10-11,13-14,18H,3,5-9,12H2,1-2H3
InChIKeyLOHMMMDMVOQGNU-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.33
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-octyl-2,3-bis(prop-1-enyl)phenol
CID 70147182
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
3-ethyl-2-prop-1-enylphenol
CID 172751725
azane;1-nonyl-3-(3-nonyl-2-prop-1-enylphenoxy)-2-prop-1-enylbenzene;sulfuric acid
CID 175775789
2,3-di(nonadecyl)phenol
CID 151687635
2-octylphenol;tungsten
CID 157237523
3-butyl-2-ethenylphenol
CID 23312031
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
1,3-didecyl-2-ethenylbenzene
CID 10572118
2-nonyl-3-prop-1-enylphenol
CID 140652201
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of 3-octyl-2-prop-1-enylphenol?
The IUPAC name of 3-octyl-2-prop-1-enylphenol (CID 70012746) is 3-octyl-2-prop-1-enylphenol.
What is the SMILES notation for 3-octyl-2-prop-1-enylphenol?
The canonical SMILES for 3-octyl-2-prop-1-enylphenol is CC=Cc1c(O)cccc1CCCCCCCC.
What is the InChIKey of 3-octyl-2-prop-1-enylphenol?
The InChIKey is LOHMMMDMVOQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-6-7-8-9-12-15-13-10-14-17(18)16(15)11-4-2/h4,10-11,13-14,18H,3,5-9,12H2,1-2H3.
What are the key properties of 3-octyl-2-prop-1-enylphenol?
3-octyl-2-prop-1-enylphenol has a molecular weight of 246.39 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-2-prop-1-enylphenol is sourced from PubChem (CID 70012746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).