(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride

C15H14ClNO2 — CID 98846999

IUPAC(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride
SMILESCOc1cccc([C@@H](/C(Cl)=N\O)c2ccccc2)c1
InChIInChI=1S/C15H14ClNO2/c1-19-13-9-5-8-12(10-13)14(15(16)17-18)11-6-3-2-4-7-11/h2-10,14,18H,1H3/b17-15+/t14-/m0/s1
InChIKeyLAKHZIYZYGYFFX-AQTLKONXSA-N
MW275.74 g/mol
LogP3.85
Rot. Bonds4

About (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride

(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride (PubChem CID 98846999) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride.

Molecular Properties

Compound Name(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride
PubChem CID98846999
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride
SMILESCOc1cccc([C@@H](/C(Cl)=N\O)c2ccccc2)c1
InChIInChI=1S/C15H14ClNO2/c1-19-13-9-5-8-12(10-13)14(15(16)17-18)11-6-3-2-4-7-11/h2-10,14,18H,1H3/b17-15+/t14-/m0/s1
InChIKeyLAKHZIYZYGYFFX-AQTLKONXSA-N
XLogP3.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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CID 67016131
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CID 178128106
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
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2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
3-[(3-methoxyphenyl)-phenylmethyl]pentane-2,4-dione
CID 132516605
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753

Frequently Asked Questions

What is the IUPAC name of (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride?
The IUPAC name of (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride (CID 98846999) is (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride.
What is the SMILES notation for (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride?
The canonical SMILES for (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride is COc1cccc([C@@H](/C(Cl)=N\O)c2ccccc2)c1.
What is the InChIKey of (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride?
The InChIKey is LAKHZIYZYGYFFX-AQTLKONXSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-13-9-5-8-12(10-13)14(15(16)17-18)11-6-3-2-4-7-11/h2-10,14,18H,1H3/b17-15+/t14-/m0/s1.
What are the key properties of (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride?
(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride has a molecular weight of 275.74 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride is sourced from PubChem (CID 98846999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).