(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone

C160H136Cl2O22P6 — CID 159553468

IUPAC(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1.CCOP(=O)(C(=O)c1c(C)ccc(C(=O)c2ccccc2)c1C)c1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C(=O)c1ccccc1.Cc1ccc(C(=O)c2ccccc2)c(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C29H25O3P.C28H23O5P.C28H23O3P.C26H17Cl2O3P.C25H25O4P.C24H23O4P/c1-20-19-21(2)27(22(3)26(20)28(30)23-13-7-4-8-14-23)29(31)33(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25;1-32-24-19-18-23(26(29)20-12-6-3-7-13-20)27(33-2)25(24)28(30)34(31,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-20-18-19-25(27(29)22-12-6-3-7-13-22)21(2)26(20)28(30)32(31,23-14-8-4-9-15-23)24-16-10-5-11-17-24;27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20;1-4-28-29(27,20-13-9-6-10-14-20)24(26)22-17(2)15-16-21(18(22)3)23(25)19-11-7-5-8-12-19/h4-19H,1-3H3;3-19H,1-2H3;3-19H,1-2H3;1-17H;6-16H,5H2,1-4H3;5-16H,4H2,1-3H3
InChIKeyMFRPLPOHQPUSCA-UHFFFAOYSA-N
MW2667.58 g/mol
LogP34.09
Rot. Bonds40

About (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone

(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone (PubChem CID 159553468) has the molecular formula C160H136Cl2O22P6 and a molecular weight of 2667.58 g/mol. Its IUPAC name is (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone.

Molecular Properties

Compound Name(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
PubChem CID159553468
Molecular FormulaC160H136Cl2O22P6
Molecular Weight2667.58 g/mol
Exact Mass2664.73
IUPAC Name(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1.CCOP(=O)(C(=O)c1c(C)ccc(C(=O)c2ccccc2)c1C)c1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C(=O)c1ccccc1.Cc1ccc(C(=O)c2ccccc2)c(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C29H25O3P.C28H23O5P.C28H23O3P.C26H17Cl2O3P.C25H25O4P.C24H23O4P/c1-20-19-21(2)27(22(3)26(20)28(30)23-13-7-4-8-14-23)29(31)33(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25;1-32-24-19-18-23(26(29)20-12-6-3-7-13-20)27(33-2)25(24)28(30)34(31,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-20-18-19-25(27(29)22-12-6-3-7-13-22)21(2)26(20)28(30)32(31,23-14-8-4-9-15-23)24-16-10-5-11-17-24;27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20;1-4-28-29(27,20-13-9-6-10-14-20)24(26)22-17(2)15-16-21(18(22)3)23(25)19-11-7-5-8-12-19/h4-19H,1-3H3;3-19H,1-2H3;3-19H,1-2H3;1-17H;6-16H,5H2,1-4H3;5-16H,4H2,1-3H3
InChIKeyMFRPLPOHQPUSCA-UHFFFAOYSA-N
XLogP34.09
TPSA344.18 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002667.58
LogP ≤ 534.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The IUPAC name of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone (CID 159553468) is (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone.
What is the SMILES notation for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The canonical SMILES for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone is CCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1.CCOP(=O)(C(=O)c1c(C)ccc(C(=O)c2ccccc2)c1C)c1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C(=O)c1ccccc1.Cc1ccc(C(=O)c2ccccc2)c(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The InChIKey is MFRPLPOHQPUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25O3P.C28H23O5P.C28H23O3P.C26H17Cl2O3P.C25H25O4P.C24H23O4P/c1-20-19-21(2)27(22(3)26(20)28(30)23-13-7-4-8-14-23)29(31)33(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25;1-32-24-19-18-23(26(29)20-12-6-3-7-13-20)27(33-2)25(24)28(30)34(31,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-20-18-19-25(27(29)22-12-6-3-7-13-22)21(2)26(20)28(30)32(31,23-14-8-4-9-15-23)24-16-10-5-11-17-24;27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20;1-4-28-29(27,20-13-9-6-10-14-20)24(26)22-17(2)15-16-21(18(22)3)23(25)19-11-7-5-8-12-19/h4-19H,1-3H3;3-19H,1-2H3;3-19H,1-2H3;1-17H;6-16H,5H2,1-4H3;5-16H,4H2,1-3H3.
What are the key properties of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone has a molecular weight of 2667.58 g/mol, XLogP of 34.09, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone is sourced from PubChem (CID 159553468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).