4-[(3-chlorophenyl)iminomethyl]phenol

C13H10ClNO — CID 4592750

IUPAC4-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H10ClNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+
InChIKeyGSOSBTHBURQGAR-OQLLNIDSSA-N
MW231.68 g/mol
LogP3.80
Rot. Bonds2

About 4-[(3-chlorophenyl)iminomethyl]phenol

4-[(3-chlorophenyl)iminomethyl]phenol (PubChem CID 4592750) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(3-chlorophenyl)iminomethyl]phenol
PubChem CID4592750
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H10ClNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+
InChIKeyGSOSBTHBURQGAR-OQLLNIDSSA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.80
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-[(3-bromophenyl)iminomethyl]phenol
CID 868394
N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
CID 135801223
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
CID 71816319
N'-(3-chlorophenyl)-N-hydroxymethanimidamide
CID 20763326
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
N-(3-chlorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853687
4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
CID 137088957
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)iminomethyl]phenol?
The IUPAC name of 4-[(3-chlorophenyl)iminomethyl]phenol (CID 4592750) is 4-[(3-chlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(3-chlorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(3-chlorophenyl)iminomethyl]phenol is Oc1ccc(/C=N/c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)iminomethyl]phenol?
The InChIKey is GSOSBTHBURQGAR-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+.
What are the key properties of 4-[(3-chlorophenyl)iminomethyl]phenol?
4-[(3-chlorophenyl)iminomethyl]phenol has a molecular weight of 231.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 4592750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).