(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid

C24H21O4P — CID 175418342

IUPAC(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid
SMILESCc1cccc(C)c1-c1ccccc1P(=O)(O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C24H21O4P/c1-15-8-7-9-16(2)23(15)19-12-5-6-13-21(19)29(27,28)22-14-20(25)17-10-3-4-11-18(17)24(22)26/h3-14,25-26H,1-2H3,(H,27,28)
InChIKeyNQGBHXBRRDTKKW-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.76
Rot. Bonds3

About (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid

(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid (PubChem CID 175418342) has the molecular formula C24H21O4P and a molecular weight of 404.40 g/mol. Its IUPAC name is (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid.

Molecular Properties

Compound Name(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid
PubChem CID175418342
Molecular FormulaC24H21O4P
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid
SMILESCc1cccc(C)c1-c1ccccc1P(=O)(O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C24H21O4P/c1-15-8-7-9-16(2)23(15)19-12-5-6-13-21(19)29(27,28)22-14-20(25)17-10-3-4-11-18(17)24(22)26/h3-14,25-26H,1-2H3,(H,27,28)
InChIKeyNQGBHXBRRDTKKW-UHFFFAOYSA-N
XLogP4.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid?
The IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid (CID 175418342) is (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid.
What is the SMILES notation for (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid?
The canonical SMILES for (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid is Cc1cccc(C)c1-c1ccccc1P(=O)(O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid?
The InChIKey is NQGBHXBRRDTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O4P/c1-15-8-7-9-16(2)23(15)19-12-5-6-13-21(19)29(27,28)22-14-20(25)17-10-3-4-11-18(17)24(22)26/h3-14,25-26H,1-2H3,(H,27,28).
What are the key properties of (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid?
(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid has a molecular weight of 404.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid is sourced from PubChem (CID 175418342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).