2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol

C16H16ClNO2 — CID 135757817

IUPAC2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCc2cccc(Cl)c2)c1O
InChIInChI=1S/C16H16ClNO2/c1-20-15-7-3-5-13(16(15)19)11-18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3/b18-11+
InChIKeyWAVRUJYWHWFUAU-WOJGMQOQSA-N
MW289.76 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol

2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol (PubChem CID 135757817) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
PubChem CID135757817
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCc2cccc(Cl)c2)c1O
InChIInChI=1S/C16H16ClNO2/c1-20-15-7-3-5-13(16(15)19)11-18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3/b18-11+
InChIKeyWAVRUJYWHWFUAU-WOJGMQOQSA-N
XLogP3.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.72
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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
CID 135818049
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol (CID 135757817) is 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCc2cccc(Cl)c2)c1O.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol?
The InChIKey is WAVRUJYWHWFUAU-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-7-3-5-13(16(15)19)11-18-9-8-12-4-2-6-14(17)10-12/h2-7,10-11,19H,8-9H2,1H3/b18-11+.
What are the key properties of 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol?
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol has a molecular weight of 289.76 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135757817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).