1-phenylphosphinane-4-carboxylic acid

C12H15O2P — CID 143517103

IUPAC1-phenylphosphinane-4-carboxylic acid
SMILESO=C(O)C1CCP(c2ccccc2)CC1
InChIInChI=1S/C12H15O2P/c13-12(14)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyQOBWUUVQEXMGPN-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.29
Rot. Bonds2

About 1-phenylphosphinane-4-carboxylic acid

1-phenylphosphinane-4-carboxylic acid (PubChem CID 143517103) has the molecular formula C12H15O2P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-phenylphosphinane-4-carboxylic acid.

Molecular Properties

Compound Name1-phenylphosphinane-4-carboxylic acid
PubChem CID143517103
Molecular FormulaC12H15O2P
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-phenylphosphinane-4-carboxylic acid
SMILESO=C(O)C1CCP(c2ccccc2)CC1
InChIInChI=1S/C12H15O2P/c13-12(14)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyQOBWUUVQEXMGPN-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylphosphinane-4-carboxylic acid?
The IUPAC name of 1-phenylphosphinane-4-carboxylic acid (CID 143517103) is 1-phenylphosphinane-4-carboxylic acid.
What is the SMILES notation for 1-phenylphosphinane-4-carboxylic acid?
The canonical SMILES for 1-phenylphosphinane-4-carboxylic acid is O=C(O)C1CCP(c2ccccc2)CC1.
What is the InChIKey of 1-phenylphosphinane-4-carboxylic acid?
The InChIKey is QOBWUUVQEXMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2P/c13-12(14)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14).
What are the key properties of 1-phenylphosphinane-4-carboxylic acid?
1-phenylphosphinane-4-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylphosphinane-4-carboxylic acid is sourced from PubChem (CID 143517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).