(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one

C14H12N2O3 — CID 135780099

IUPAC(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one
SMILESCc1cccc(/N=N/C(=C/O)C(=O)c2ccco2)c1
InChIInChI=1S/C14H12N2O3/c1-10-4-2-5-11(8-10)15-16-12(9-17)14(18)13-6-3-7-19-13/h2-9,17H,1H3/b12-9+,16-15+
InChIKeyQIWQZVFMQJDKRE-JDHQLRNLSA-N
MW256.26 g/mol
LogP3.95
Rot. Bonds4

About (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one

(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one (PubChem CID 135780099) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one
PubChem CID135780099
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one
SMILESCc1cccc(/N=N/C(=C/O)C(=O)c2ccco2)c1
InChIInChI=1S/C14H12N2O3/c1-10-4-2-5-11(8-10)15-16-12(9-17)14(18)13-6-3-7-19-13/h2-9,17H,1H3/b12-9+,16-15+
InChIKeyQIWQZVFMQJDKRE-JDHQLRNLSA-N
XLogP3.95
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.95
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

2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
CID 135481966
1,1,1-trifluoro-4-(furan-2-yl)-4-hydroxy-3-[(3-methylphenyl)iminomethyl]but-3-en-2-one
CID 135481196
(2Z,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-[(3-methylphenyl)hydrazinylidene]propan-1-one
CID 6525778
3-(furan-2-yl)-2-(3-methylphenyl)-3-oxopropanenitrile
CID 62829603
(E)-1-(furan-2-yl)pent-3-ene-1,2-dione
CID 70521586
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
CID 135843564
ethyl (Z)-3-hydroxy-2-[(3-methylphenyl)diazenyl]but-2-enoate
CID 135473071
(E)-3-hydroxy-1-(4-methoxyphenyl)-2-phenyldiazenylprop-2-en-1-one
CID 135550150
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one (CID 135780099) is (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one is Cc1cccc(/N=N/C(=C/O)C(=O)c2ccco2)c1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one?
The InChIKey is QIWQZVFMQJDKRE-JDHQLRNLSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-4-2-5-11(8-10)15-16-12(9-17)14(18)13-6-3-7-19-13/h2-9,17H,1H3/b12-9+,16-15+.
What are the key properties of (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one has a molecular weight of 256.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one is sourced from PubChem (CID 135780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).