1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone

C11H12O2 — CID 89057752

IUPAC1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
SMILESC=CC(O)c1ccccc1C(C)=O
InChIInChI=1S/C11H12O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h3-7,11,13H,1H2,2H3
InChIKeyTYUVTIASCXZMQE-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone

1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone (PubChem CID 89057752) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
PubChem CID89057752
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
SMILESC=CC(O)c1ccccc1C(C)=O
InChIInChI=1S/C11H12O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h3-7,11,13H,1H2,2H3
InChIKeyTYUVTIASCXZMQE-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.11
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

(1R)-1-(2-methylphenyl)prop-2-en-1-ol
CID 102103795
3-(2-acetylphenyl)butan-2-one
CID 171562891
1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
1-[2-(2-ethenylphenyl)phenyl]ethanone
CID 102225851
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
1-[2-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]ethanone
CID 171874044
acetic acid;1-naphthalen-2-ylprop-2-en-1-ol
CID 70153213
1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
CID 115019022
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The IUPAC name of 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone (CID 89057752) is 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone is C=CC(O)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The InChIKey is TYUVTIASCXZMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-11(13)10-7-5-4-6-9(10)8(2)12/h3-7,11,13H,1H2,2H3.
What are the key properties of 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone?
1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone has a molecular weight of 176.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone is sourced from PubChem (CID 89057752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).