2-prop-1-en-2-yl-4-prop-2-enylphenol

C12H14O — CID 175301273

IUPAC2-prop-1-en-2-yl-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(C(=C)C)c1
InChIInChI=1S/C12H14O/c1-4-5-10-6-7-12(13)11(8-10)9(2)3/h4,6-8,13H,1-2,5H2,3H3
InChIKeyRAKSUVUQBYXXJG-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.15
Rot. Bonds3

About 2-prop-1-en-2-yl-4-prop-2-enylphenol

2-prop-1-en-2-yl-4-prop-2-enylphenol (PubChem CID 175301273) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-prop-1-en-2-yl-4-prop-2-enylphenol
PubChem CID175301273
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-prop-1-en-2-yl-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(C(=C)C)c1
InChIInChI=1S/C12H14O/c1-4-5-10-6-7-12(13)11(8-10)9(2)3/h4,6-8,13H,1-2,5H2,3H3
InChIKeyRAKSUVUQBYXXJG-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.15
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

2-prop-1-en-2-ylphenol;3-prop-2-enylphenol;4-prop-2-enylphenol
CID 161146709
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
4-prop-2-enyl-2-sulfanylphenol
CID 89013961
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-(3-methylbutoxy)-4-prop-2-enylphenol
CID 24770349
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-4-prop-2-enylphenol?
The IUPAC name of 2-prop-1-en-2-yl-4-prop-2-enylphenol (CID 175301273) is 2-prop-1-en-2-yl-4-prop-2-enylphenol.
What is the SMILES notation for 2-prop-1-en-2-yl-4-prop-2-enylphenol?
The canonical SMILES for 2-prop-1-en-2-yl-4-prop-2-enylphenol is C=CCc1ccc(O)c(C(=C)C)c1.
What is the InChIKey of 2-prop-1-en-2-yl-4-prop-2-enylphenol?
The InChIKey is RAKSUVUQBYXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-5-10-6-7-12(13)11(8-10)9(2)3/h4,6-8,13H,1-2,5H2,3H3.
What are the key properties of 2-prop-1-en-2-yl-4-prop-2-enylphenol?
2-prop-1-en-2-yl-4-prop-2-enylphenol has a molecular weight of 174.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-4-prop-2-enylphenol is sourced from PubChem (CID 175301273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).