[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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Related Compounds

2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol
CID 174493714
2-(2-hydroxyphenyl)-3-(2-methylphenyl)phenol;phosphoric acid
CID 174454896
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
(1,4-dihydroxynaphthalen-2-yl)-[2-(2,6-dimethylphenyl)phenyl]phosphinic acid
CID 175418342
(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
CID 87625044
3-(2,6-dimethylphenoxy)phenol;phosphoric acid
CID 175289306
2-(3-hydroxy-2,6-dimethylphenyl)benzene-1,4-diol
CID 101299416
2-[(2,6-dimethylphenoxy)-phenylphosphoryl]naphthalene-1,4-diol
CID 175418341
2-hydroxy-5-methylfluoren-9-one
CID 82579449
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
2-(2,3,6-trimethylphenyl)benzene-1,4-diol
CID 101299187
2-(2-hydroxy-3,6-dimethylphenyl)benzene-1,4-diol
CID 101299410

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).