2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol

C16H15Cl2NO2 — CID 4662873

IUPAC2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-7-21-14-5-3-13(4-6-14)19-10-11-8-12(17)9-15(18)16(11)20/h3-6,8-10,20H,2,7H2,1H3/b19-10+
InChIKeyMKBMDAGZXZEMDJ-VXLYETTFSA-N
MW324.21 g/mol
LogP5.24
Rot. Bonds5

About 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol

2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol (PubChem CID 4662873) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
PubChem CID4662873
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-7-21-14-5-3-13(4-6-14)19-10-11-8-12(17)9-15(18)16(11)20/h3-6,8-10,20H,2,7H2,1H3/b19-10+
InChIKeyMKBMDAGZXZEMDJ-VXLYETTFSA-N
XLogP5.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.21
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
CID 135855323
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2-tert-butyl-4-chloro-6-[(4-pent-4-enoxyphenyl)iminomethyl]phenol
CID 137211482
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenoxy)propanamide
CID 137309812

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol (CID 4662873) is 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol is CCCOc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol?
The InChIKey is MKBMDAGZXZEMDJ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-7-21-14-5-3-13(4-6-14)19-10-11-8-12(17)9-15(18)16(11)20/h3-6,8-10,20H,2,7H2,1H3/b19-10+.
What are the key properties of 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol has a molecular weight of 324.21 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 4662873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).