(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate

C42H33O3P — CID 158652072

IUPAC(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate
SMILESO=C(Cc1ccccc1)c1cc2ccccc2cc1[O-].Oc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H19OP.C18H14O2/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;19-17(10-13-6-2-1-3-7-13)16-11-14-8-4-5-9-15(14)12-18(16)20/h1-19H;1-9,11-12,20H,10H2
InChIKeyIBRHOBAIOSMWJH-UHFFFAOYSA-N
MW616.70 g/mol
LogP7.35
Rot. Bonds7

About (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate

(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate (PubChem CID 158652072) has the molecular formula C42H33O3P and a molecular weight of 616.70 g/mol. Its IUPAC name is (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate.

Molecular Properties

Compound Name(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate
PubChem CID158652072
Molecular FormulaC42H33O3P
Molecular Weight616.70 g/mol
Exact Mass616.22
IUPAC Name(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate
SMILESO=C(Cc1ccccc1)c1cc2ccccc2cc1[O-].Oc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H19OP.C18H14O2/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;19-17(10-13-6-2-1-3-7-13)16-11-14-8-4-5-9-15(14)12-18(16)20/h1-19H;1-9,11-12,20H,10H2
InChIKeyIBRHOBAIOSMWJH-UHFFFAOYSA-N
XLogP7.35
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.70
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
(3,4-dihydroxyphenyl)-phenylmethanone;3-(phenylcarbamoyl)naphthalen-2-olate;tetraphenylphosphanium
CID 158011286
1-isoquinolin-3-yl-2-phenylethanone
CID 15828622
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
tetrakis(4-hydroxyphenyl)phosphanium
CID 87769874
aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
CID 101322218
1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate?
The IUPAC name of (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate (CID 158652072) is (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate.
What is the SMILES notation for (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate?
The canonical SMILES for (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate is O=C(Cc1ccccc1)c1cc2ccccc2cc1[O-].Oc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate?
The InChIKey is IBRHOBAIOSMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19OP.C18H14O2/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;19-17(10-13-6-2-1-3-7-13)16-11-14-8-4-5-9-15(14)12-18(16)20/h1-19H;1-9,11-12,20H,10H2.
What are the key properties of (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate?
(4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate has a molecular weight of 616.70 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-triphenylphosphanium;3-(2-phenylacetyl)naphthalen-2-olate is sourced from PubChem (CID 158652072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).