1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one

C13H14O2 — CID 174515544

IUPAC1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
SMILESC=CCC(=O)c1cccc(O)c1CC=C
InChIInChI=1S/C13H14O2/c1-3-6-10-11(12(14)7-4-2)8-5-9-13(10)15/h3-5,8-9,15H,1-2,6-7H2
InChIKeyIJUAURXSYWSCSM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one

1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one (PubChem CID 174515544) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
PubChem CID174515544
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
SMILESC=CCC(=O)c1cccc(O)c1CC=C
InChIInChI=1S/C13H14O2/c1-3-6-10-11(12(14)7-4-2)8-5-9-13(10)15/h3-5,8-9,15H,1-2,6-7H2
InChIKeyIJUAURXSYWSCSM-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide
CID 129252356
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
1-(2-chloro-3-fluorophenyl)but-3-en-1-one
CID 114964267
1-(3-chloro-2-fluorophenyl)but-3-en-1-one
CID 64713430
dioxomanganese;3-methyl-2-prop-2-enylphenol
CID 175262810
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
3-amino-2-prop-2-enylbenzoic acid
CID 66692931
1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one
CID 134845290
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one?
The IUPAC name of 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one (CID 174515544) is 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one.
What is the SMILES notation for 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one?
The canonical SMILES for 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one is C=CCC(=O)c1cccc(O)c1CC=C.
What is the InChIKey of 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one?
The InChIKey is IJUAURXSYWSCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-6-10-11(12(14)7-4-2)8-5-9-13(10)15/h3-5,8-9,15H,1-2,6-7H2.
What are the key properties of 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one?
1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one is sourced from PubChem (CID 174515544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).