5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione

C22H16O3 — CID 139635069

IUPAC5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
SMILESO=C1c2cccc(O)c2C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H16O3/c23-17-13-7-12-16-20(17)22(25)19(15-10-5-2-6-11-15)18(21(16)24)14-8-3-1-4-9-14/h1-13,18-19,23H
InChIKeyAZIXCNOHEWCHDA-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.34
Rot. Bonds2

About 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione

5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione (PubChem CID 139635069) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
PubChem CID139635069
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
SMILESO=C1c2cccc(O)c2C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H16O3/c23-17-13-7-12-16-20(17)22(25)19(15-10-5-2-6-11-15)18(21(16)24)14-8-3-1-4-9-14/h1-13,18-19,23H
InChIKeyAZIXCNOHEWCHDA-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
CID 15955456
7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
CID 14834731
5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 14412241
4-hydroxy-2-prop-1-ynoxyindene-1,3-dione
CID 139637968
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
CID 102510066
(4-hydroxy-1,3-dioxoinden-2-yl) 2-methylpropanoate
CID 139638136
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
(2S)-3-methylimino-2-phenylinden-1-one
CID 124846160
2-hydroxy-1-phenylfluoren-9-one
CID 162516784
3-methylimino-2-phenylinden-1-one
CID 91824479

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione (CID 139635069) is 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione is O=C1c2cccc(O)c2C(=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is AZIXCNOHEWCHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-17-13-7-12-16-20(17)22(25)19(15-10-5-2-6-11-15)18(21(16)24)14-8-3-1-4-9-14/h1-13,18-19,23H.
What are the key properties of 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione?
5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 328.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 139635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).