3-propan-2-yl-5-prop-2-enylphenol

C12H16O — CID 169324480

IUPAC3-propan-2-yl-5-prop-2-enylphenol
SMILESC=CCc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3
InChIKeyQKVAMDFNRIZFMY-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.24
Rot. Bonds3

About 3-propan-2-yl-5-prop-2-enylphenol

3-propan-2-yl-5-prop-2-enylphenol (PubChem CID 169324480) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-propan-2-yl-5-prop-2-enylphenol.

Molecular Properties

Compound Name3-propan-2-yl-5-prop-2-enylphenol
PubChem CID169324480
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-propan-2-yl-5-prop-2-enylphenol
SMILESC=CCc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3
InChIKeyQKVAMDFNRIZFMY-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropyl)-5-propan-2-ylphenol
CID 117284114
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
3-[(1S,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-5-methoxyphenol
CID 163184142
3-prop-2-enyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 59860884
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
N-propan-2-yl-3,5-bis(prop-2-enyl)aniline
CID 70587286
bis(3-prop-2-enylphenol);zirconium(2+);dichloride
CID 174381876
1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene
CID 142281111
2-propan-2-ylphenol;prop-2-enylbenzene
CID 175237789
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-prop-2-enylphenol?
The IUPAC name of 3-propan-2-yl-5-prop-2-enylphenol (CID 169324480) is 3-propan-2-yl-5-prop-2-enylphenol.
What is the SMILES notation for 3-propan-2-yl-5-prop-2-enylphenol?
The canonical SMILES for 3-propan-2-yl-5-prop-2-enylphenol is C=CCc1cc(O)cc(C(C)C)c1.
What is the InChIKey of 3-propan-2-yl-5-prop-2-enylphenol?
The InChIKey is QKVAMDFNRIZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-10-6-11(9(2)3)8-12(13)7-10/h4,6-9,13H,1,5H2,2-3H3.
What are the key properties of 3-propan-2-yl-5-prop-2-enylphenol?
3-propan-2-yl-5-prop-2-enylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-prop-2-enylphenol is sourced from PubChem (CID 169324480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).