(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one

C19H16ClNO2 — CID 135726728

IUPAC(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one
SMILESO=C1CC[C@H](c2ccccc2)C(O)=C1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO2/c20-14-6-8-15(9-7-14)21-12-17-18(22)11-10-16(19(17)23)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2/b21-12+/t16-/m1/s1
InChIKeyAHDLEVOQDMMWEU-SVZNOHIVSA-N
MW325.80 g/mol
LogP5.00
Rot. Bonds3

About (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one

(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one (PubChem CID 135726728) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one
PubChem CID135726728
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one
SMILESO=C1CC[C@H](c2ccccc2)C(O)=C1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO2/c20-14-6-8-15(9-7-14)21-12-17-18(22)11-10-16(19(17)23)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2/b21-12+/t16-/m1/s1
InChIKeyAHDLEVOQDMMWEU-SVZNOHIVSA-N
XLogP5.00
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one?
The IUPAC name of (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one (CID 135726728) is (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one is O=C1CC[C@H](c2ccccc2)C(O)=C1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one?
The InChIKey is AHDLEVOQDMMWEU-SVZNOHIVSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-14-6-8-15(9-7-14)21-12-17-18(22)11-10-16(19(17)23)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2/b21-12+/t16-/m1/s1.
What are the key properties of (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one?
(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one has a molecular weight of 325.80 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 135726728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).