ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one

C17H19NO2 — CID 145409740

IUPACethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
SMILESCC.O=C(/C=C\Nc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H13NO2.C2H6/c17-14-8-4-7-13(11-14)16-10-9-15(18)12-5-2-1-3-6-12;1-2/h1-11,16-17H;1-2H3/b10-9-;
InChIKeyVMYDYIBBDDBSDM-KVVVOXFISA-N
MW269.34 g/mol
LogP4.23
Rot. Bonds4

About ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one

ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one (PubChem CID 145409740) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
PubChem CID145409740
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
SMILESCC.O=C(/C=C\Nc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H13NO2.C2H6/c17-14-8-4-7-13(11-14)16-10-9-15(18)12-5-2-1-3-6-12;1-2/h1-11,16-17H;1-2H3/b10-9-;
InChIKeyVMYDYIBBDDBSDM-KVVVOXFISA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
(E)-3-anilino-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 139030211
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
CID 18531505
(Z)-3-[(2-methyl-1,3-benzodioxol-5-yl)amino]-1-phenylprop-2-en-1-one
CID 139527893
3-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 7348792
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357
ethyl 3-[[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 39346398
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one?
The IUPAC name of ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one (CID 145409740) is ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one.
What is the SMILES notation for ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one?
The canonical SMILES for ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one is CC.O=C(/C=C\Nc1cccc(O)c1)c1ccccc1.
What is the InChIKey of ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one?
The InChIKey is VMYDYIBBDDBSDM-KVVVOXFISA-N. The full InChI is InChI=1S/C15H13NO2.C2H6/c17-14-8-4-7-13(11-14)16-10-9-15(18)12-5-2-1-3-6-12;1-2/h1-11,16-17H;1-2H3/b10-9-;.
What are the key properties of ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one?
ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one has a molecular weight of 269.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 145409740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).