3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one

C19H17NO3 — CID 135433341

IUPAC3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-16-8-6-15(7-9-16)20-12-17-18(22)10-14(11-19(17)23)13-4-2-1-3-5-13/h1-9,12,14,21-22H,10-11H2/b20-12+
InChIKeyCQZIYQPQIZEOJV-UDWIEESQSA-N
MW307.35 g/mol
LogP4.05
Rot. Bonds3

About 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one

3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one (PubChem CID 135433341) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one
PubChem CID135433341
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-16-8-6-15(7-9-16)20-12-17-18(22)10-14(11-19(17)23)13-4-2-1-3-5-13/h1-9,12,14,21-22H,10-11H2/b20-12+
InChIKeyCQZIYQPQIZEOJV-UDWIEESQSA-N
XLogP4.05
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one (CID 135433341) is 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one is O=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccc(O)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one?
The InChIKey is CQZIYQPQIZEOJV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO3/c21-16-8-6-15(7-9-16)20-12-17-18(22)10-14(11-19(17)23)13-4-2-1-3-5-13/h1-9,12,14,21-22H,10-11H2/b20-12+.
What are the key properties of 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one?
3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one has a molecular weight of 307.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-hydroxyphenyl)iminomethyl]-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 135433341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).