2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol

C17H17NO3 — CID 3481556

IUPAC2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C17H17NO3/c1-3-10-21-16-7-4-13(17(19)11-16)12-18-14-5-8-15(20-2)9-6-14/h3-9,11-12,19H,1,10H2,2H3/b18-12+
InChIKeyVKEFSUHTTKOZOQ-LDADJPATSA-N
MW283.33 g/mol
LogP3.72
Rot. Bonds6

About 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol

2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol (PubChem CID 3481556) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol
PubChem CID3481556
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C17H17NO3/c1-3-10-21-16-7-4-13(17(19)11-16)12-18-14-5-8-15(20-2)9-6-14/h3-9,11-12,19H,1,10H2,2H3/b18-12+
InChIKeyVKEFSUHTTKOZOQ-LDADJPATSA-N
XLogP3.72
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The IUPAC name of 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol (CID 3481556) is 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol.
What is the SMILES notation for 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The canonical SMILES for 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol is C=CCOc1ccc(/C=N/c2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The InChIKey is VKEFSUHTTKOZOQ-LDADJPATSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-10-21-16-7-4-13(17(19)11-16)12-18-14-5-8-15(20-2)9-6-14/h3-9,11-12,19H,1,10H2,2H3/b18-12+.
What are the key properties of 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol?
2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol has a molecular weight of 283.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)iminomethyl]-5-prop-2-enoxyphenol is sourced from PubChem (CID 3481556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).