methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate

C180H214O30P6 — CID 159623720

IUPACmethyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate
SMILESCOC(=O)CCc1cc(C(C)(C)C)c(OP(Oc2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2)c2ccccc2)cc1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(Oc2ccc(CC(=O)OC)c(C(C)(C)C)c2)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C42H59O6P.C34H43O6P.C32H39O6P.C26H27O6P.C25H27O3P.C21H19O3P/c1-39(2,3)31-24-28(20-22-35(43)45-13)25-32(40(4,5)6)37(31)47-49(30-18-16-15-17-19-30)48-38-33(41(7,8)9)26-29(21-23-36(44)46-14)27-34(38)42(10,11)12;1-33(2,3)27-22-24(16-20-31(35)37-7)14-18-29(27)39-41(26-12-10-9-11-13-26)40-30-19-15-25(17-21-32(36)38-8)23-28(30)34(4,5)6;1-31(2,3)26-21-24(16-15-23(26)20-30(34)36-8)37-39(25-12-10-9-11-13-25)38-28-17-14-22(19-29(33)35-7)18-27(28)32(4,5)6;1-29-25(27)18-12-20-8-14-22(15-9-20)31-33(24-6-4-3-5-7-24)32-23-16-10-21(11-17-23)13-19-26(28)30-2;1-25(2,3)23-18-20(16-15-19(23)17-24(26)27-4)28-29(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-23-21(22)16-17-12-14-18(15-13-17)24-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h15-19,24-27H,20-23H2,1-14H3;9-15,18-19,22-23H,16-17,20-21H2,1-8H3;9-18,21H,19-20H2,1-8H3;3-11,14-17H,12-13,18-19H2,1-2H3;5-16,18H,17H2,1-4H3;2-15H,16H2,1H3
InChIKeyMOFKRMQPFZVGKH-UHFFFAOYSA-N
MW3043.51 g/mol
LogP38.53
Rot. Bonds54

About methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate

methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate (PubChem CID 159623720) has the molecular formula C180H214O30P6 and a molecular weight of 3043.51 g/mol. Its IUPAC name is methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate
PubChem CID159623720
Molecular FormulaC180H214O30P6
Molecular Weight3043.51 g/mol
Exact Mass3041.36
IUPAC Namemethyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate
SMILESCOC(=O)CCc1cc(C(C)(C)C)c(OP(Oc2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2)c2ccccc2)cc1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(Oc2ccc(CC(=O)OC)c(C(C)(C)C)c2)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C42H59O6P.C34H43O6P.C32H39O6P.C26H27O6P.C25H27O3P.C21H19O3P/c1-39(2,3)31-24-28(20-22-35(43)45-13)25-32(40(4,5)6)37(31)47-49(30-18-16-15-17-19-30)48-38-33(41(7,8)9)26-29(21-23-36(44)46-14)27-34(38)42(10,11)12;1-33(2,3)27-22-24(16-20-31(35)37-7)14-18-29(27)39-41(26-12-10-9-11-13-26)40-30-19-15-25(17-21-32(36)38-8)23-28(30)34(4,5)6;1-31(2,3)26-21-24(16-15-23(26)20-30(34)36-8)37-39(25-12-10-9-11-13-25)38-28-17-14-22(19-29(33)35-7)18-27(28)32(4,5)6;1-29-25(27)18-12-20-8-14-22(15-9-20)31-33(24-6-4-3-5-7-24)32-23-16-10-21(11-17-23)13-19-26(28)30-2;1-25(2,3)23-18-20(16-15-19(23)17-24(26)27-4)28-29(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-23-21(22)16-17-12-14-18(15-13-17)24-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h15-19,24-27H,20-23H2,1-14H3;9-15,18-19,22-23H,16-17,20-21H2,1-8H3;9-18,21H,19-20H2,1-8H3;3-11,14-17H,12-13,18-19H2,1-2H3;5-16,18H,17H2,1-4H3;2-15H,16H2,1H3
InChIKeyMOFKRMQPFZVGKH-UHFFFAOYSA-N
XLogP38.53
TPSA355.30 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds54
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.51
LogP ≤ 538.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate?
The IUPAC name of methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate (CID 159623720) is methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate.
What is the SMILES notation for methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate?
The canonical SMILES for methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate is COC(=O)CCc1cc(C(C)(C)C)c(OP(Oc2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2)c2ccccc2)cc1.COC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OC)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(Oc2ccc(CC(=O)OC)c(C(C)(C)C)c2)c2ccccc2)c(C(C)(C)C)c1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1.COC(=O)Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate?
The InChIKey is MOFKRMQPFZVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H59O6P.C34H43O6P.C32H39O6P.C26H27O6P.C25H27O3P.C21H19O3P/c1-39(2,3)31-24-28(20-22-35(43)45-13)25-32(40(4,5)6)37(31)47-49(30-18-16-15-17-19-30)48-38-33(41(7,8)9)26-29(21-23-36(44)46-14)27-34(38)42(10,11)12;1-33(2,3)27-22-24(16-20-31(35)37-7)14-18-29(27)39-41(26-12-10-9-11-13-26)40-30-19-15-25(17-21-32(36)38-8)23-28(30)34(4,5)6;1-31(2,3)26-21-24(16-15-23(26)20-30(34)36-8)37-39(25-12-10-9-11-13-25)38-28-17-14-22(19-29(33)35-7)18-27(28)32(4,5)6;1-29-25(27)18-12-20-8-14-22(15-9-20)31-33(24-6-4-3-5-7-24)32-23-16-10-21(11-17-23)13-19-26(28)30-2;1-25(2,3)23-18-20(16-15-19(23)17-24(26)27-4)28-29(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-23-21(22)16-17-12-14-18(15-13-17)24-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h15-19,24-27H,20-23H2,1-14H3;9-15,18-19,22-23H,16-17,20-21H2,1-8H3;9-18,21H,19-20H2,1-8H3;3-11,14-17H,12-13,18-19H2,1-2H3;5-16,18H,17H2,1-4H3;2-15H,16H2,1H3.
What are the key properties of methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate?
methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate has a molecular weight of 3043.51 g/mol, XLogP of 38.53, 54 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-tert-butyl-4-[[3-tert-butyl-4-(2-methoxy-2-oxoethyl)phenoxy]-phenylphosphanyl]oxyphenyl]acetate;methyl 3-[3-tert-butyl-4-[[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(2-tert-butyl-4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[3,5-ditert-butyl-4-[[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate;methyl 2-(4-diphenylphosphanyloxyphenyl)acetate;methyl 3-[4-[[4-(3-methoxy-3-oxopropyl)phenoxy]-phenylphosphanyl]oxyphenyl]propanoate is sourced from PubChem (CID 159623720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).