[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid

C20H19O5P — CID 87738690

IUPAC[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid
SMILESCc1cccc(C)c1OP(=O)(O)c1ccccc1-c1cc(O)ccc1O
InChIInChI=1S/C20H19O5P/c1-13-6-5-7-14(2)20(13)25-26(23,24)19-9-4-3-8-16(19)17-12-15(21)10-11-18(17)22/h3-12,21-22H,1-2H3,(H,23,24)
InChIKeyDNVKZTOVWHIZBQ-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.27
Rot. Bonds4

About [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid

[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid (PubChem CID 87738690) has the molecular formula C20H19O5P and a molecular weight of 370.34 g/mol. Its IUPAC name is [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid.

Molecular Properties

Compound Name[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid
PubChem CID87738690
Molecular FormulaC20H19O5P
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid
SMILESCc1cccc(C)c1OP(=O)(O)c1ccccc1-c1cc(O)ccc1O
InChIInChI=1S/C20H19O5P/c1-13-6-5-7-14(2)20(13)25-26(23,24)19-9-4-3-8-16(19)17-12-15(21)10-11-18(17)22/h3-12,21-22H,1-2H3,(H,23,24)
InChIKeyDNVKZTOVWHIZBQ-UHFFFAOYSA-N
XLogP4.27
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid?
The IUPAC name of [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid (CID 87738690) is [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid.
What is the SMILES notation for [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid?
The canonical SMILES for [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid is Cc1cccc(C)c1OP(=O)(O)c1ccccc1-c1cc(O)ccc1O.
What is the InChIKey of [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid?
The InChIKey is DNVKZTOVWHIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O5P/c1-13-6-5-7-14(2)20(13)25-26(23,24)19-9-4-3-8-16(19)17-12-15(21)10-11-18(17)22/h3-12,21-22H,1-2H3,(H,23,24).
What are the key properties of [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid?
[2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid has a molecular weight of 370.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dihydroxyphenyl)phenyl]-(2,6-dimethylphenoxy)phosphinic acid is sourced from PubChem (CID 87738690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).