2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol

C16H14ClNO2 — CID 4272542

IUPAC2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C16H14ClNO2/c1-2-8-20-15-7-6-12(16(19)10-15)11-18-14-5-3-4-13(17)9-14/h2-7,9-11,19H,1,8H2/b18-11+
InChIKeyXMYFBSKMPLZPFZ-WOJGMQOQSA-N
MW287.75 g/mol
LogP4.36
Rot. Bonds5

About 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol

2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol (PubChem CID 4272542) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
PubChem CID4272542
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C16H14ClNO2/c1-2-8-20-15-7-6-12(16(19)10-15)11-18-14-5-3-4-13(17)9-14/h2-7,9-11,19H,1,8H2/b18-11+
InChIKeyXMYFBSKMPLZPFZ-WOJGMQOQSA-N
XLogP4.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol (CID 4272542) is 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol.
What is the SMILES notation for 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The canonical SMILES for 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol is C=CCOc1ccc(/C=N/c2cccc(Cl)c2)c(O)c1.
What is the InChIKey of 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The InChIKey is XMYFBSKMPLZPFZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-8-20-15-7-6-12(16(19)10-15)11-18-14-5-3-4-13(17)9-14/h2-7,9-11,19H,1,8H2/b18-11+.
What are the key properties of 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol has a molecular weight of 287.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol is sourced from PubChem (CID 4272542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).