2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone

C13H17NO2 — CID 170896149

IUPAC2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1cc(C(=O)CN(C)C)ccc1O
InChIInChI=1S/C13H17NO2/c1-4-5-10-8-11(6-7-12(10)15)13(16)9-14(2)3/h4,6-8,15H,1,5,9H2,2-3H3
InChIKeyJOZGVTGEWCPYAR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.87
Rot. Bonds5

About 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone

2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone (PubChem CID 170896149) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
PubChem CID170896149
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1cc(C(=O)CN(C)C)ccc1O
InChIInChI=1S/C13H17NO2/c1-4-5-10-8-11(6-7-12(10)15)13(16)9-14(2)3/h4,6-8,15H,1,5,9H2,2-3H3
InChIKeyJOZGVTGEWCPYAR-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
1-(2,6-dihydroxy-3-prop-2-enylphenyl)-2-(dimethylamino)ethanone
CID 170896213
4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
CID 142679374
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]ethanone;hydrochloride
CID 175674657
4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
CID 139713899
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
methyl 4-(3-hydroxy-4-prop-2-enylphenyl)-4-oxobutanoate
CID 21450289
4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
CID 139984782
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone (CID 170896149) is 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone is C=CCc1cc(C(=O)CN(C)C)ccc1O.
What is the InChIKey of 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone?
The InChIKey is JOZGVTGEWCPYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-5-10-8-11(6-7-12(10)15)13(16)9-14(2)3/h4,6-8,15H,1,5,9H2,2-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone?
2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone is sourced from PubChem (CID 170896149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).