chloro bis(4-methoxyphenyl) phosphate

C14H14ClO6P — CID 19821181

IUPACchloro bis(4-methoxyphenyl) phosphate
SMILESCOc1ccc(OP(=O)(OCl)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14ClO6P/c1-17-11-3-7-13(8-4-11)19-22(16,21-15)20-14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
InChIKeySKZHZVXGMAMFEO-UHFFFAOYSA-N
MW344.69 g/mol
LogP4.44
Rot. Bonds7

About chloro bis(4-methoxyphenyl) phosphate

chloro bis(4-methoxyphenyl) phosphate (PubChem CID 19821181) has the molecular formula C14H14ClO6P and a molecular weight of 344.69 g/mol. Its IUPAC name is chloro bis(4-methoxyphenyl) phosphate.

Molecular Properties

Compound Namechloro bis(4-methoxyphenyl) phosphate
PubChem CID19821181
Molecular FormulaC14H14ClO6P
Molecular Weight344.69 g/mol
Exact Mass344.02
IUPAC Namechloro bis(4-methoxyphenyl) phosphate
SMILESCOc1ccc(OP(=O)(OCl)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14ClO6P/c1-17-11-3-7-13(8-4-11)19-22(16,21-15)20-14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
InChIKeySKZHZVXGMAMFEO-UHFFFAOYSA-N
XLogP4.44
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.69
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chloro diphenyl phosphate;hydrate
CID 70610879
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
chloro bis(4-nitrophenyl) phosphate
CID 141011401
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
dichloro (4-cyanophenyl) phosphate
CID 177310263
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
CID 14641380
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
CID 23274140
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863

Frequently Asked Questions

What is the IUPAC name of chloro bis(4-methoxyphenyl) phosphate?
The IUPAC name of chloro bis(4-methoxyphenyl) phosphate (CID 19821181) is chloro bis(4-methoxyphenyl) phosphate.
What is the SMILES notation for chloro bis(4-methoxyphenyl) phosphate?
The canonical SMILES for chloro bis(4-methoxyphenyl) phosphate is COc1ccc(OP(=O)(OCl)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of chloro bis(4-methoxyphenyl) phosphate?
The InChIKey is SKZHZVXGMAMFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClO6P/c1-17-11-3-7-13(8-4-11)19-22(16,21-15)20-14-9-5-12(18-2)6-10-14/h3-10H,1-2H3.
What are the key properties of chloro bis(4-methoxyphenyl) phosphate?
chloro bis(4-methoxyphenyl) phosphate has a molecular weight of 344.69 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro bis(4-methoxyphenyl) phosphate is sourced from PubChem (CID 19821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).