(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one

C16H14N2O3 — CID 135548536

IUPAC(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/N=N/C(=C/O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3/c1-21-14-9-7-13(8-10-14)17-18-15(11-19)16(20)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11+,18-17+
InChIKeyJUHZDYVOXURUSC-KCWKZLLFSA-N
MW282.30 g/mol
LogP4.06
Rot. Bonds5

About (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one

(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one (PubChem CID 135548536) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
PubChem CID135548536
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/N=N/C(=C/O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3/c1-21-14-9-7-13(8-10-14)17-18-15(11-19)16(20)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11+,18-17+
InChIKeyJUHZDYVOXURUSC-KCWKZLLFSA-N
XLogP4.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-1-(4-methoxyphenyl)-2-phenyldiazenylprop-2-en-1-one
CID 135550150
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
CID 135463888
3-hydroxy-2-phenyldiazenyl-1-pyridin-4-ylprop-2-en-1-one
CID 135414768
methyl 2-[(1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 136870839
ethyl 3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-4-(triphenyl-λ5-phosphanylidene)but-2-enoate
CID 135402311
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
CID 135643063
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one (CID 135548536) is (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one is COc1ccc(/N=N/C(=C/O)C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one?
The InChIKey is JUHZDYVOXURUSC-KCWKZLLFSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-14-9-7-13(8-10-14)17-18-15(11-19)16(20)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11+,18-17+.
What are the key properties of (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one?
(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one has a molecular weight of 282.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 135548536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).