[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane

C118H166N5O10P5 — CID 159295518

IUPAC[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCOCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1CN1CCCCC1.COCOc1c(C)cccc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1c(Pc2ccccc2CN2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1ccccc1Pc1ccc(C)cc1CN1CCCCC1
InChIInChI=1S/C28H42NO2P.C25H36NO2P.2C22H30NO2P.C21H28NO2P/c1-27(2,3)22-17-23(28(4,5)6)26(31-20-30-7)25(18-22)32-24-14-10-9-13-21(24)19-29-15-11-8-12-16-29;1-19-15-21(25(2,3)4)16-23(24(19)28-18-27-5)29-22-12-8-7-11-20(22)17-26-13-9-6-10-14-26;1-17-8-10-21(19(13-17)15-23-11-5-4-6-12-23)26-22-14-18(2)7-9-20(22)25-16-24-3;1-17-10-11-20(19(14-17)15-23-12-5-4-6-13-23)26-21-9-7-8-18(2)22(21)25-16-24-3;1-17-10-11-20(18(14-17)15-22-12-6-3-7-13-22)25-21-9-5-4-8-19(21)24-16-23-2/h9-10,13-14,17-18,32H,8,11-12,15-16,19-20H2,1-7H3;7-8,11-12,15-16,29H,6,9-10,13-14,17-18H2,1-5H3;7-10,13-14,26H,4-6,11-12,15-16H2,1-3H3;7-11,14,26H,4-6,12-13,15-16H2,1-3H3;4-5,8-11,14,25H,3,6-7,12-13,15-16H2,1-2H3
InChIKeyLAQYKGYUOYBAHO-UHFFFAOYSA-N
MW1969.52 g/mol
LogP22.17
Rot. Bonds35

About [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane

[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane (PubChem CID 159295518) has the molecular formula C118H166N5O10P5 and a molecular weight of 1969.52 g/mol. Its IUPAC name is [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane.

Molecular Properties

Compound Name[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
PubChem CID159295518
Molecular FormulaC118H166N5O10P5
Molecular Weight1969.52 g/mol
Exact Mass1968.13
IUPAC Name[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCOCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1CN1CCCCC1.COCOc1c(C)cccc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1c(Pc2ccccc2CN2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1ccccc1Pc1ccc(C)cc1CN1CCCCC1
InChIInChI=1S/C28H42NO2P.C25H36NO2P.2C22H30NO2P.C21H28NO2P/c1-27(2,3)22-17-23(28(4,5)6)26(31-20-30-7)25(18-22)32-24-14-10-9-13-21(24)19-29-15-11-8-12-16-29;1-19-15-21(25(2,3)4)16-23(24(19)28-18-27-5)29-22-12-8-7-11-20(22)17-26-13-9-6-10-14-26;1-17-8-10-21(19(13-17)15-23-11-5-4-6-12-23)26-22-14-18(2)7-9-20(22)25-16-24-3;1-17-10-11-20(19(14-17)15-23-12-5-4-6-13-23)26-21-9-7-8-18(2)22(21)25-16-24-3;1-17-10-11-20(18(14-17)15-22-12-6-3-7-13-22)25-21-9-5-4-8-19(21)24-16-23-2/h9-10,13-14,17-18,32H,8,11-12,15-16,19-20H2,1-7H3;7-8,11-12,15-16,29H,6,9-10,13-14,17-18H2,1-5H3;7-10,13-14,26H,4-6,11-12,15-16H2,1-3H3;7-11,14,26H,4-6,12-13,15-16H2,1-3H3;4-5,8-11,14,25H,3,6-7,12-13,15-16H2,1-2H3
InChIKeyLAQYKGYUOYBAHO-UHFFFAOYSA-N
XLogP22.17
TPSA108.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.52
LogP ≤ 522.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The IUPAC name of [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane (CID 159295518) is [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane.
What is the SMILES notation for [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The canonical SMILES for [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane is COCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1CN1CCCCC1.COCOc1c(C)cccc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1c(Pc2ccccc2CN2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1ccccc1Pc1ccc(C)cc1CN1CCCCC1.
What is the InChIKey of [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The InChIKey is LAQYKGYUOYBAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42NO2P.C25H36NO2P.2C22H30NO2P.C21H28NO2P/c1-27(2,3)22-17-23(28(4,5)6)26(31-20-30-7)25(18-22)32-24-14-10-9-13-21(24)19-29-15-11-8-12-16-29;1-19-15-21(25(2,3)4)16-23(24(19)28-18-27-5)29-22-12-8-7-11-20(22)17-26-13-9-6-10-14-26;1-17-8-10-21(19(13-17)15-23-11-5-4-6-12-23)26-22-14-18(2)7-9-20(22)25-16-24-3;1-17-10-11-20(19(14-17)15-23-12-5-4-6-13-23)26-21-9-7-8-18(2)22(21)25-16-24-3;1-17-10-11-20(18(14-17)15-22-12-6-3-7-13-22)25-21-9-5-4-8-19(21)24-16-23-2/h9-10,13-14,17-18,32H,8,11-12,15-16,19-20H2,1-7H3;7-8,11-12,15-16,29H,6,9-10,13-14,17-18H2,1-5H3;7-10,13-14,26H,4-6,11-12,15-16H2,1-3H3;7-11,14,26H,4-6,12-13,15-16H2,1-3H3;4-5,8-11,14,25H,3,6-7,12-13,15-16H2,1-2H3.
What are the key properties of [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane has a molecular weight of 1969.52 g/mol, XLogP of 22.17, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane is sourced from PubChem (CID 159295518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).