2-(4-methoxyphenyl)ethanimidoyl chloride

C9H10ClNO — CID 171786740

IUPAC2-(4-methoxyphenyl)ethanimidoyl chloride
SMILES[H]/N=C(\Cl)Cc1ccc(OC)cc1
InChIInChI=1S/C9H10ClNO/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,11H,6H2,1H3/b11-9-
InChIKeyQYAAPNTVXRFGPY-LUAWRHEFSA-N
MW183.64 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-methoxyphenyl)ethanimidoyl chloride

2-(4-methoxyphenyl)ethanimidoyl chloride (PubChem CID 171786740) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethanimidoyl chloride
PubChem CID171786740
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-(4-methoxyphenyl)ethanimidoyl chloride
SMILES[H]/N=C(\Cl)Cc1ccc(OC)cc1
InChIInChI=1S/C9H10ClNO/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,11H,6H2,1H3/b11-9-
InChIKeyQYAAPNTVXRFGPY-LUAWRHEFSA-N
XLogP2.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 3043164
2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
CID 61417970
(4-methoxyphenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 11995626
1-[(2E)-4-chloro-5-methylhexa-2,4-dienyl]-4-methoxybenzene
CID 102046770
2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl chloride
CID 21470441
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethanimidoyl chloride?
The IUPAC name of 2-(4-methoxyphenyl)ethanimidoyl chloride (CID 171786740) is 2-(4-methoxyphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2-(4-methoxyphenyl)ethanimidoyl chloride?
The canonical SMILES for 2-(4-methoxyphenyl)ethanimidoyl chloride is [H]/N=C(\Cl)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethanimidoyl chloride?
The InChIKey is QYAAPNTVXRFGPY-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,11H,6H2,1H3/b11-9-.
What are the key properties of 2-(4-methoxyphenyl)ethanimidoyl chloride?
2-(4-methoxyphenyl)ethanimidoyl chloride has a molecular weight of 183.64 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethanimidoyl chloride is sourced from PubChem (CID 171786740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).