2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol

C16H16ClNO3 — CID 135817980

IUPAC2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCOc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H16ClNO3/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+
InChIKeyALQBYRXPIWTAFK-WOJGMQOQSA-N
MW305.76 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol

2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol (PubChem CID 135817980) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
PubChem CID135817980
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCOc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H16ClNO3/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+
InChIKeyALQBYRXPIWTAFK-WOJGMQOQSA-N
XLogP3.55
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
CID 135855323
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
CID 135818049
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol (CID 135817980) is 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCOc2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol?
The InChIKey is ALQBYRXPIWTAFK-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-15-4-2-3-12(16(15)19)11-18-9-10-21-14-7-5-13(17)6-8-14/h2-8,11,19H,9-10H2,1H3/b18-11+.
What are the key properties of 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol?
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol has a molecular weight of 305.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135817980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).