5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one

C23H19NO3 — CID 135455186

IUPAC5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one
SMILESO=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21-13-17(23-11-6-12-27-23)14-22(26)19(21)15-24-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-12,15,17,25H,13-14H2/b24-15+
InChIKeyXCBDHQAMJZIBIV-BUVRLJJBSA-N
MW357.41 g/mol
LogP5.61
Rot. Bonds4

About 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one

5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one (PubChem CID 135455186) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one
PubChem CID135455186
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one
SMILESO=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21-13-17(23-11-6-12-27-23)14-22(26)19(21)15-24-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-12,15,17,25H,13-14H2/b24-15+
InChIKeyXCBDHQAMJZIBIV-BUVRLJJBSA-N
XLogP5.61
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-{[(2-Ethoxyphenyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135401660
2-{[(2,5-Dichlorophenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401490
2-{[(4-Ethoxyphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401498
2-{[(4-Ethylphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401662
2-{[(4-Bromophenyl)amino]methylene}-5-(2-furyl)cyclohexane-1,3-dione
CID 135413442
2-{[(Furan-2-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447669
5-Furan-2-yl-2-(p-tolylamino-methylene)-cyclohexane-1,3-dione
CID 135450678
4-((4-(Furan-2-yl)-2,6-dioxocyclohexylidene)methylamino)benzenesulfonamide (2d)
CID 137241592
4-Methoxy-N-((5-phenyl-2-furyl)methylene)aniline
CID 681807
2-[(3,5-Dichloroanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135447037
5-(Furan-2-yl)-3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]cyclohex-2-en-1-one
CID 145983195
(3Z)-3-(anilinomethylidene)-5-phenylfuran-2-one
CID 762469

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one (CID 135455186) is 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one is O=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1-c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one?
The InChIKey is XCBDHQAMJZIBIV-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21-13-17(23-11-6-12-27-23)14-22(26)19(21)15-24-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-12,15,17,25H,13-14H2/b24-15+.
What are the key properties of 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one?
5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one has a molecular weight of 357.41 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-hydroxy-2-[(2-phenylphenyl)iminomethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 135455186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).