(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C23H18O2 — CID 11595033

IUPAC(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C23H18O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-15,24H,10-11H2/b20-14+
InChIKeyNIBJMTYORMTMOV-XSFVSMFZSA-N
MW326.40 g/mol
LogP5.27
Rot. Bonds2

About (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 11595033) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID11595033
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C23H18O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-15,24H,10-11H2/b20-14+
InChIKeyNIBJMTYORMTMOV-XSFVSMFZSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 11595033) is (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCc2cc(O)ccc21.
What is the InChIKey of (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is NIBJMTYORMTMOV-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H18O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-15,24H,10-11H2/b20-14+.
What are the key properties of (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 326.40 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-hydroxy-2-[(4-phenylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 11595033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).