(4-chlorophenyl)methyl-phenoxyphosphinic acid

C13H12ClO3P — CID 22932200

IUPAC(4-chlorophenyl)methyl-phenoxyphosphinic acid
SMILESO=P(O)(Cc1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C13H12ClO3P/c14-12-8-6-11(7-9-12)10-18(15,16)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChIKeyLXLJQKUHFUBPAS-UHFFFAOYSA-N
MW282.66 g/mol
LogP4.10
Rot. Bonds4

About (4-chlorophenyl)methyl-phenoxyphosphinic acid

(4-chlorophenyl)methyl-phenoxyphosphinic acid (PubChem CID 22932200) has the molecular formula C13H12ClO3P and a molecular weight of 282.66 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-phenoxyphosphinic acid.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-phenoxyphosphinic acid
PubChem CID22932200
Molecular FormulaC13H12ClO3P
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name(4-chlorophenyl)methyl-phenoxyphosphinic acid
SMILESO=P(O)(Cc1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C13H12ClO3P/c14-12-8-6-11(7-9-12)10-18(15,16)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChIKeyLXLJQKUHFUBPAS-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 54.10
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

benzyl(phenoxy)phosphinic acid
CID 54071062
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
(4-chlorophenyl) phenyl phosphate
CID 71363636
[4-[2-[(4-chlorophenyl)methyl]-3-oxo-3-phenylpropyl]phenyl] phenyl hydrogen phosphate
CID 70605204
chloroform;diphenyl hydrogen phosphate
CID 174899919
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
sodium;2-[(4-chlorophenyl)methyl]-3-(4-hydroxyphenyl)-1-phenylpropan-1-one;phenyl hydrogen phosphate
CID 70605440
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-phenoxyphosphinic acid?
The IUPAC name of (4-chlorophenyl)methyl-phenoxyphosphinic acid (CID 22932200) is (4-chlorophenyl)methyl-phenoxyphosphinic acid.
What is the SMILES notation for (4-chlorophenyl)methyl-phenoxyphosphinic acid?
The canonical SMILES for (4-chlorophenyl)methyl-phenoxyphosphinic acid is O=P(O)(Cc1ccc(Cl)cc1)Oc1ccccc1.
What is the InChIKey of (4-chlorophenyl)methyl-phenoxyphosphinic acid?
The InChIKey is LXLJQKUHFUBPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClO3P/c14-12-8-6-11(7-9-12)10-18(15,16)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16).
What are the key properties of (4-chlorophenyl)methyl-phenoxyphosphinic acid?
(4-chlorophenyl)methyl-phenoxyphosphinic acid has a molecular weight of 282.66 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-phenoxyphosphinic acid is sourced from PubChem (CID 22932200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).