bis(4-chlorophenyl) (3-methylphenyl) phosphate

C19H15Cl2O4P — CID 6426541

IUPACbis(4-chlorophenyl) (3-methylphenyl) phosphate
SMILESCc1cccc(OP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2O4P/c1-14-3-2-4-19(13-14)25-26(22,23-17-9-5-15(20)6-10-17)24-18-11-7-16(21)8-12-18/h2-13H,1H3
InChIKeyFEVBAKCVJQRVCS-UHFFFAOYSA-N
MW409.21 g/mol
LogP6.95
Rot. Bonds6

About bis(4-chlorophenyl) (3-methylphenyl) phosphate

bis(4-chlorophenyl) (3-methylphenyl) phosphate (PubChem CID 6426541) has the molecular formula C19H15Cl2O4P and a molecular weight of 409.21 g/mol. Its IUPAC name is bis(4-chlorophenyl) (3-methylphenyl) phosphate.

Molecular Properties

Compound Namebis(4-chlorophenyl) (3-methylphenyl) phosphate
PubChem CID6426541
Molecular FormulaC19H15Cl2O4P
Molecular Weight409.21 g/mol
Exact Mass408.01
IUPAC Namebis(4-chlorophenyl) (3-methylphenyl) phosphate
SMILESCc1cccc(OP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2O4P/c1-14-3-2-4-19(13-14)25-26(22,23-17-9-5-15(20)6-10-17)24-18-11-7-16(21)8-12-18/h2-13H,1H3
InChIKeyFEVBAKCVJQRVCS-UHFFFAOYSA-N
XLogP6.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.21
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl) (4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426569
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl) (3-methylphenyl) phosphate?
The IUPAC name of bis(4-chlorophenyl) (3-methylphenyl) phosphate (CID 6426541) is bis(4-chlorophenyl) (3-methylphenyl) phosphate.
What is the SMILES notation for bis(4-chlorophenyl) (3-methylphenyl) phosphate?
The canonical SMILES for bis(4-chlorophenyl) (3-methylphenyl) phosphate is Cc1cccc(OP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of bis(4-chlorophenyl) (3-methylphenyl) phosphate?
The InChIKey is FEVBAKCVJQRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2O4P/c1-14-3-2-4-19(13-14)25-26(22,23-17-9-5-15(20)6-10-17)24-18-11-7-16(21)8-12-18/h2-13H,1H3.
What are the key properties of bis(4-chlorophenyl) (3-methylphenyl) phosphate?
bis(4-chlorophenyl) (3-methylphenyl) phosphate has a molecular weight of 409.21 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl) (3-methylphenyl) phosphate is sourced from PubChem (CID 6426541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).