(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C20H16N2O2 — CID 171618232

IUPAC(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(-n3ccnc3)cc2)CCc2ccc(O)cc21
InChIInChI=1S/C20H16N2O2/c23-18-8-5-15-3-4-16(20(24)19(15)12-18)11-14-1-6-17(7-2-14)22-10-9-21-13-22/h1-2,5-13,23H,3-4H2/b16-11+
InChIKeyCLLOZLQZNRSKDS-LFIBNONCSA-N
MW316.36 g/mol
LogP3.79
Rot. Bonds2

About (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 171618232) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID171618232
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(-n3ccnc3)cc2)CCc2ccc(O)cc21
InChIInChI=1S/C20H16N2O2/c23-18-8-5-15-3-4-16(20(24)19(15)12-18)11-14-1-6-17(7-2-14)22-10-9-21-13-22/h1-2,5-13,23H,3-4H2/b16-11+
InChIKeyCLLOZLQZNRSKDS-LFIBNONCSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 171618232) is (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccc(-n3ccnc3)cc2)CCc2ccc(O)cc21.
What is the InChIKey of (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is CLLOZLQZNRSKDS-LFIBNONCSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-18-8-5-15-3-4-16(20(24)19(15)12-18)11-14-1-6-17(7-2-14)22-10-9-21-13-22/h1-2,5-13,23H,3-4H2/b16-11+.
What are the key properties of (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-hydroxy-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 171618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).