1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one

C11H12O2 — CID 15261544

IUPAC1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)c1ccccc1O
InChIInChI=1S/C11H12O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3
InChIKeyHYUKTUBZCPKNQG-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one

1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one (PubChem CID 15261544) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
PubChem CID15261544
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)c1ccccc1O
InChIInChI=1S/C11H12O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3
InChIKeyHYUKTUBZCPKNQG-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_D(1)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dihydroxyphenyl)-3-methylbut-2-en-1-one
CID 86168329
[(Z)-1-chloro-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-dimethylazanium chloride
CID 117062647
1-(2-hydroxy-3-methoxyphenyl)-3-methylbut-2-en-1-one
CID 13480864
1-(2,4-dihydroxy-3-methylphenyl)-3-methylbut-2-en-1-one
CID 14161321
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
1-(2-chloro-3-fluorophenyl)-3-methylbut-2-en-1-one
CID 115780660
1-(2-hydroxyphenyl)-3-methoxyprop-2-en-1-one
CID 175205354
methyl (E)-3-(2-hydroxyphenyl)but-2-enoate
CID 59078190
(E)-1-(2-chlorophenyl)-3-(propan-2-ylamino)but-2-en-1-one
CID 14711664
1-[2-hydroxy-5-(2-methoxyethyl)phenyl]-3-methylbut-2-en-1-one
CID 91508709
3-(2-hydroxyphenyl)but-3-en-2-one
CID 15090741

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one (CID 15261544) is 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one is CC(C)=CC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one?
The InChIKey is HYUKTUBZCPKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3.
What are the key properties of 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one?
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one has a molecular weight of 176.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one is sourced from PubChem (CID 15261544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).