(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride

C9H10ClNO — CID 170746070

IUPAC(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride
SMILESCc1ccc(C/C(Cl)=N/O)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)6-9(10)11-12/h2-5,12H,6H2,1H3/b11-9-
InChIKeyCDWOAYVZSHLBDB-LUAWRHEFSA-N
MW183.64 g/mol
LogP2.56
Rot. Bonds2

About (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride

(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride (PubChem CID 170746070) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride
PubChem CID170746070
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride
SMILESCc1ccc(C/C(Cl)=N/O)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)6-9(10)11-12/h2-5,12H,6H2,1H3/b11-9-
InChIKeyCDWOAYVZSHLBDB-LUAWRHEFSA-N
XLogP2.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
CID 59255304
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
CID 58076264
(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
CID 58076259
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
(4-methylphenyl)methanol
CID 138734499
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
CID 123349804

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride (CID 170746070) is (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride is Cc1ccc(C/C(Cl)=N/O)cc1.
What is the InChIKey of (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride?
The InChIKey is CDWOAYVZSHLBDB-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)6-9(10)11-12/h2-5,12H,6H2,1H3/b11-9-.
What are the key properties of (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride?
(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride has a molecular weight of 183.64 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 170746070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).