3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one

C20H19NO2 — CID 135782748

IUPAC3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one
SMILES[H]/N=C(/C1=C(O)CC(c2ccccc2)CC1=O)c1ccccc1C
InChIInChI=1S/C20H19NO2/c1-13-7-5-6-10-16(13)20(21)19-17(22)11-15(12-18(19)23)14-8-3-2-4-9-14/h2-10,15,21-22H,11-12H2,1H3/b21-20+
InChIKeyOPHREGCVBFJXJQ-QZQOTICOSA-N
MW305.38 g/mol
LogP4.32
Rot. Bonds3

About 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one

3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one (PubChem CID 135782748) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one
PubChem CID135782748
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one
SMILES[H]/N=C(/C1=C(O)CC(c2ccccc2)CC1=O)c1ccccc1C
InChIInChI=1S/C20H19NO2/c1-13-7-5-6-10-16(13)20(21)19-17(22)11-15(12-18(19)23)14-8-3-2-4-9-14/h2-10,15,21-22H,11-12H2,1H3/b21-20+
InChIKeyOPHREGCVBFJXJQ-QZQOTICOSA-N
XLogP4.32
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
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 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one (CID 135782748) is 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one is [H]/N=C(/C1=C(O)CC(c2ccccc2)CC1=O)c1ccccc1C.
What is the InChIKey of 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one?
The InChIKey is OPHREGCVBFJXJQ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-7-5-6-10-16(13)20(21)19-17(22)11-15(12-18(19)23)14-8-3-2-4-9-14/h2-10,15,21-22H,11-12H2,1H3/b21-20+.
What are the key properties of 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one?
3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one has a molecular weight of 305.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylbenzenecarboximidoyl)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 135782748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).