2-[(4-chlorophenyl)methylimino]ethanol

C9H10ClNO — CID 89300193

IUPAC2-[(4-chlorophenyl)methylimino]ethanol
SMILESOC/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-5,12H,6-7H2/b11-5+
InChIKeySCJYHYLTAYQAGE-VZUCSPMQSA-N
MW183.64 g/mol
LogP1.90
Rot. Bonds3

About 2-[(4-chlorophenyl)methylimino]ethanol

2-[(4-chlorophenyl)methylimino]ethanol (PubChem CID 89300193) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylimino]ethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylimino]ethanol
PubChem CID89300193
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-[(4-chlorophenyl)methylimino]ethanol
SMILESOC/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-5,12H,6-7H2/b11-5+
InChIKeySCJYHYLTAYQAGE-VZUCSPMQSA-N
XLogP1.90
TPSA32.59 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 ≤ 51.90
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

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
CID 10683004
5-[(4-chlorophenyl)methyliminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CID 3650227
N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine
CID 101489818
4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829042
methyl (E)-2-[(4-chlorophenyl)methyliminomethyl]-3-hydroxybut-2-enoate
CID 137276913
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
5-[(4-chlorophenyl)methyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7595937
2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
CID 89286361
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine
CID 102340891

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylimino]ethanol?
The IUPAC name of 2-[(4-chlorophenyl)methylimino]ethanol (CID 89300193) is 2-[(4-chlorophenyl)methylimino]ethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylimino]ethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methylimino]ethanol is OC/C=N/Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylimino]ethanol?
The InChIKey is SCJYHYLTAYQAGE-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-5,12H,6-7H2/b11-5+.
What are the key properties of 2-[(4-chlorophenyl)methylimino]ethanol?
2-[(4-chlorophenyl)methylimino]ethanol has a molecular weight of 183.64 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylimino]ethanol is sourced from PubChem (CID 89300193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).