2-diphenylphosphoryloxyterephthalic acid

C20H15O6P — CID 175552705

IUPAC2-diphenylphosphoryloxyterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(OP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H15O6P/c21-19(22)14-11-12-17(20(23)24)18(13-14)26-27(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,21,22)(H,23,24)
InChIKeyOHNSILRTTNWOAJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP3.39
Rot. Bonds6

About 2-diphenylphosphoryloxyterephthalic acid

2-diphenylphosphoryloxyterephthalic acid (PubChem CID 175552705) has the molecular formula C20H15O6P and a molecular weight of 382.31 g/mol. Its IUPAC name is 2-diphenylphosphoryloxyterephthalic acid.

Molecular Properties

Compound Name2-diphenylphosphoryloxyterephthalic acid
PubChem CID175552705
Molecular FormulaC20H15O6P
Molecular Weight382.31 g/mol
Exact Mass382.06
IUPAC Name2-diphenylphosphoryloxyterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(OP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H15O6P/c21-19(22)14-11-12-17(20(23)24)18(13-14)26-27(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,21,22)(H,23,24)
InChIKeyOHNSILRTTNWOAJ-UHFFFAOYSA-N
XLogP3.39
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-(2,5-dicarboxyphenyl)peroxyterephthalic acid
CID 88603711
2-diphenylphosphanyloxyterephthalic acid
CID 171479707
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
2-carboxyperoxycarbonyloxyterephthalic acid
CID 21276584
2-pentoxyterephthalic acid
CID 86182031
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
2-phosphonoterephthalic acid
CID 11708570
2-octadecoxyterephthalic acid
CID 142668937
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
2-(2-methylsulfanylethoxy)terephthalic acid
CID 175240037
3,4-diphenoxybenzoic acid
CID 70590459

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryloxyterephthalic acid?
The IUPAC name of 2-diphenylphosphoryloxyterephthalic acid (CID 175552705) is 2-diphenylphosphoryloxyterephthalic acid.
What is the SMILES notation for 2-diphenylphosphoryloxyterephthalic acid?
The canonical SMILES for 2-diphenylphosphoryloxyterephthalic acid is O=C(O)c1ccc(C(=O)O)c(OP(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-diphenylphosphoryloxyterephthalic acid?
The InChIKey is OHNSILRTTNWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O6P/c21-19(22)14-11-12-17(20(23)24)18(13-14)26-27(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,21,22)(H,23,24).
What are the key properties of 2-diphenylphosphoryloxyterephthalic acid?
2-diphenylphosphoryloxyterephthalic acid has a molecular weight of 382.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryloxyterephthalic acid is sourced from PubChem (CID 175552705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).