2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol

C14H10Cl3NO2 — CID 968357

IUPAC2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1O
InChIInChI=1S/C14H10Cl3NO2/c1-20-14-3-2-8(4-13(14)19)7-18-12-6-10(16)9(15)5-11(12)17/h2-7,19H,1H3/b18-7+
InChIKeyLLRJFRQYWQPQHT-CNHKJKLMSA-N
MW330.60 g/mol
LogP5.11
Rot. Bonds3

About 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol

2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol (PubChem CID 968357) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol
PubChem CID968357
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1O
InChIInChI=1S/C14H10Cl3NO2/c1-20-14-3-2-8(4-13(14)19)7-18-12-6-10(16)9(15)5-11(12)17/h2-7,19H,1H3/b18-7+
InChIKeyLLRJFRQYWQPQHT-CNHKJKLMSA-N
XLogP5.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 5165015
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
CID 23738779
5-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 8002358
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
5-methanimidoyl-2-methoxyphenol
CID 23221891
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295245

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol (CID 968357) is 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol is COc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1O.
What is the InChIKey of 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol?
The InChIKey is LLRJFRQYWQPQHT-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c1-20-14-3-2-8(4-13(14)19)7-18-12-6-10(16)9(15)5-11(12)17/h2-7,19H,1H3/b18-7+.
What are the key properties of 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol?
2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol has a molecular weight of 330.60 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).