4-phosphanyloxybenzoic acid

C7H7O3P — CID 59660293

IUPAC4-phosphanyloxybenzoic acid
SMILESO=C(O)c1ccc(OP)cc1
InChIInChI=1S/C7H7O3P/c8-7(9)5-1-3-6(10-11)4-2-5/h1-4H,11H2,(H,8,9)
InChIKeyRUGDPICSHMRKCQ-UHFFFAOYSA-N
MW170.10 g/mol
LogP1.55
Rot. Bonds2

About 4-phosphanyloxybenzoic acid

4-phosphanyloxybenzoic acid (PubChem CID 59660293) has the molecular formula C7H7O3P and a molecular weight of 170.10 g/mol. Its IUPAC name is 4-phosphanyloxybenzoic acid.

Molecular Properties

Compound Name4-phosphanyloxybenzoic acid
PubChem CID59660293
Molecular FormulaC7H7O3P
Molecular Weight170.10 g/mol
Exact Mass170.01
IUPAC Name4-phosphanyloxybenzoic acid
SMILESO=C(O)c1ccc(OP)cc1
InChIInChI=1S/C7H7O3P/c8-7(9)5-1-3-6(10-11)4-2-5/h1-4H,11H2,(H,8,9)
InChIKeyRUGDPICSHMRKCQ-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
ethene;terephthalic acid
CID 18755810
potassium;terephthalic acid;hydroxide
CID 157415014
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
oxophosphane;terephthalic acid
CID 175391404

Frequently Asked Questions

What is the IUPAC name of 4-phosphanyloxybenzoic acid?
The IUPAC name of 4-phosphanyloxybenzoic acid (CID 59660293) is 4-phosphanyloxybenzoic acid.
What is the SMILES notation for 4-phosphanyloxybenzoic acid?
The canonical SMILES for 4-phosphanyloxybenzoic acid is O=C(O)c1ccc(OP)cc1.
What is the InChIKey of 4-phosphanyloxybenzoic acid?
The InChIKey is RUGDPICSHMRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3P/c8-7(9)5-1-3-6(10-11)4-2-5/h1-4H,11H2,(H,8,9).
What are the key properties of 4-phosphanyloxybenzoic acid?
4-phosphanyloxybenzoic acid has a molecular weight of 170.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphanyloxybenzoic acid is sourced from PubChem (CID 59660293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).