(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one

C11H13NO3 — CID 162405653

IUPAC(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
SMILESCOc1ccc(C/C(=N\O)C(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)11(12-14)7-9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3/b12-11+
InChIKeyIXGLVDRDWYJPID-VAWYXSNFSA-N
MW207.23 g/mol
LogP1.66
Rot. Bonds4

About (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one

(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one (PubChem CID 162405653) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
PubChem CID162405653
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
SMILESCOc1ccc(C/C(=N\O)C(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)11(12-14)7-9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3/b12-11+
InChIKeyIXGLVDRDWYJPID-VAWYXSNFSA-N
XLogP1.66
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-2-hydrazinylidene-3-(4-methoxyphenyl)propanoate
CID 101474748
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one?
The IUPAC name of (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one (CID 162405653) is (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one.
What is the SMILES notation for (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one?
The canonical SMILES for (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one is COc1ccc(C/C(=N\O)C(C)=O)cc1.
What is the InChIKey of (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one?
The InChIKey is IXGLVDRDWYJPID-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)11(12-14)7-9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3/b12-11+.
What are the key properties of (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one?
(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one is sourced from PubChem (CID 162405653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).