3-butyl-2-ethenylphenol

C12H16O — CID 23312031

IUPAC3-butyl-2-ethenylphenol
SMILESC=Cc1c(O)cccc1CCCC
InChIInChI=1S/C12H16O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyHKULHMRYPBLBRI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.38
Rot. Bonds4

About 3-butyl-2-ethenylphenol

3-butyl-2-ethenylphenol (PubChem CID 23312031) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-butyl-2-ethenylphenol.

Molecular Properties

Compound Name3-butyl-2-ethenylphenol
PubChem CID23312031
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-butyl-2-ethenylphenol
SMILESC=Cc1c(O)cccc1CCCC
InChIInChI=1S/C12H16O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyHKULHMRYPBLBRI-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1,3-didecyl-2-ethenylbenzene
CID 10572118
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
3-octyl-2-prop-1-enylphenol
CID 70012746
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-butyl-2-prop-2-enylbenzene
CID 18786435
2-octylphenol;tungsten
CID 157237523
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
ethene;2-nonylphenol
CID 66616289

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethenylphenol?
The IUPAC name of 3-butyl-2-ethenylphenol (CID 23312031) is 3-butyl-2-ethenylphenol.
What is the SMILES notation for 3-butyl-2-ethenylphenol?
The canonical SMILES for 3-butyl-2-ethenylphenol is C=Cc1c(O)cccc1CCCC.
What is the InChIKey of 3-butyl-2-ethenylphenol?
The InChIKey is HKULHMRYPBLBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,6,8-9,13H,2-3,5,7H2,1H3.
What are the key properties of 3-butyl-2-ethenylphenol?
3-butyl-2-ethenylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethenylphenol is sourced from PubChem (CID 23312031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).