1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone

C109H128O18P6 — CID 158345655

IUPAC1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone
SMILESCOCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1C(C)=O.COCOc1c(C)cccc1Pc1ccccc1C(C)=O.COCOc1c(Pc2ccccc2C(C)=O)cc(C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1C(C)=O.COCOc1ccccc1Pc1ccccc1C(C)=O.COOc1c(C)cc(C)cc1Pc1ccccc1C(C)=O
InChIInChI=1S/2C21H27O3P.3C17H19O3P.C16H17O3P/c1-14-11-16(21(3,4)5)12-19(20(14)24-13-23-6)25-18-10-8-7-9-17(18)15(2)22;1-14-11-17(21(3,4)5)20(24-13-23-6)19(12-14)25-18-10-8-7-9-16(18)15(2)22;1-11-9-12(2)17(20-19-4)16(10-11)21-15-8-6-5-7-14(15)13(3)18;1-12-7-6-10-16(17(12)20-11-19-3)21-15-9-5-4-8-14(15)13(2)18;1-12-8-9-15(20-11-19-3)17(10-12)21-16-7-5-4-6-14(16)13(2)18;1-12(17)13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)19-11-18-2/h2*7-12,25H,13H2,1-6H3;5-10,21H,1-4H3;2*4-10,21H,11H2,1-3H3;3-10,20H,11H2,1-2H3
InChIKeyGRRXDOOUKWUGDR-UHFFFAOYSA-N
MW1912.05 g/mol
LogP19.41
Rot. Bonds35

About 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone

1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone (PubChem CID 158345655) has the molecular formula C109H128O18P6 and a molecular weight of 1912.05 g/mol. Its IUPAC name is 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone
PubChem CID158345655
Molecular FormulaC109H128O18P6
Molecular Weight1912.05 g/mol
Exact Mass1910.75
IUPAC Name1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone
SMILESCOCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1C(C)=O.COCOc1c(C)cccc1Pc1ccccc1C(C)=O.COCOc1c(Pc2ccccc2C(C)=O)cc(C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1C(C)=O.COCOc1ccccc1Pc1ccccc1C(C)=O.COOc1c(C)cc(C)cc1Pc1ccccc1C(C)=O
InChIInChI=1S/2C21H27O3P.3C17H19O3P.C16H17O3P/c1-14-11-16(21(3,4)5)12-19(20(14)24-13-23-6)25-18-10-8-7-9-17(18)15(2)22;1-14-11-17(21(3,4)5)20(24-13-23-6)19(12-14)25-18-10-8-7-9-16(18)15(2)22;1-11-9-12(2)17(20-19-4)16(10-11)21-15-8-6-5-7-14(15)13(3)18;1-12-7-6-10-16(17(12)20-11-19-3)21-15-9-5-4-8-14(15)13(2)18;1-12-8-9-15(20-11-19-3)17(10-12)21-16-7-5-4-6-14(16)13(2)18;1-12(17)13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)19-11-18-2/h2*7-12,25H,13H2,1-6H3;5-10,21H,1-4H3;2*4-10,21H,11H2,1-3H3;3-10,20H,11H2,1-2H3
InChIKeyGRRXDOOUKWUGDR-UHFFFAOYSA-N
XLogP19.41
TPSA213.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.05
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone with MolForge

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Related Compounds

2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline
CID 159998079
2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N-dimethylaniline;2-[2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline
CID 158707402
N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 158821287
[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane
CID 158995702
[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
N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine
CID 161225226
2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline
CID 160871428
1-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-ditert-butyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;N-methyl-1-[2-(5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine
CID 159625807
1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
CID 76558150
1-[2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]-5-methylphenyl]ethanone
CID 89356463
1-[2-[2-(5-tert-butyl-2-methoxy-3-methylphenyl)pentan-2-ylphosphanyl]phenyl]ethanone
CID 70807366
N-tert-butyl-1-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine;N-tert-butyl-1-[2-(3-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine;N-tert-butyl-1-[2-(5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine;N-tert-butyl-1-[2-(2-phenylmethoxyphenyl)phosphanylphenyl]methanimine;1-[2-(3,5-dimethoxy-2-phenylmethoxyphenyl)phosphanyl-5-fluorophenyl]-N-methylmethanimine
CID 158310973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone?
The IUPAC name of 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone (CID 158345655) is 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone.
What is the SMILES notation for 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone?
The canonical SMILES for 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone is COCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1C(C)=O.COCOc1c(C)cccc1Pc1ccccc1C(C)=O.COCOc1c(Pc2ccccc2C(C)=O)cc(C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccccc1C(C)=O.COCOc1ccccc1Pc1ccccc1C(C)=O.COOc1c(C)cc(C)cc1Pc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone?
The InChIKey is GRRXDOOUKWUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H27O3P.3C17H19O3P.C16H17O3P/c1-14-11-16(21(3,4)5)12-19(20(14)24-13-23-6)25-18-10-8-7-9-17(18)15(2)22;1-14-11-17(21(3,4)5)20(24-13-23-6)19(12-14)25-18-10-8-7-9-16(18)15(2)22;1-11-9-12(2)17(20-19-4)16(10-11)21-15-8-6-5-7-14(15)13(3)18;1-12-7-6-10-16(17(12)20-11-19-3)21-15-9-5-4-8-14(15)13(2)18;1-12-8-9-15(20-11-19-3)17(10-12)21-16-7-5-4-6-14(16)13(2)18;1-12(17)13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)19-11-18-2/h2*7-12,25H,13H2,1-6H3;5-10,21H,1-4H3;2*4-10,21H,11H2,1-3H3;3-10,20H,11H2,1-2H3.
What are the key properties of 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone?
1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone has a molecular weight of 1912.05 g/mol, XLogP of 19.41, 35 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-(3,5-dimethyl-2-methylperoxyphenyl)phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]ethanone;1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]ethanone is sourced from PubChem (CID 158345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).