1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one

C55H76O6P2 — CID 158328556

IUPAC1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
SMILESCOc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(P2C(C)(C)CC(=O)CC2(C)C)cc1OC.COc1cc(OC)cc(-c2ccccc2P2C(C)(C)CC(=O)CC2(C)C)c1
InChIInChI=1S/C32H47O3P.C23H29O3P/c1-19(2)22-13-24(20(3)4)30(25(14-22)21(5)6)26-15-27(34-11)28(35-12)16-29(26)36-31(7,8)17-23(33)18-32(36,9)10;1-22(2)14-17(24)15-23(3,4)27(22)21-10-8-7-9-20(21)16-11-18(25-5)13-19(12-16)26-6/h13-16,19-21H,17-18H2,1-12H3;7-13H,14-15H2,1-6H3
InChIKeyGPSHMMIEYRIALO-UHFFFAOYSA-N
MW895.15 g/mol
LogP14.17
Rot. Bonds11

About 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one

1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one (PubChem CID 158328556) has the molecular formula C55H76O6P2 and a molecular weight of 895.15 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
PubChem CID158328556
Molecular FormulaC55H76O6P2
Molecular Weight895.15 g/mol
Exact Mass894.51
IUPAC Name1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
SMILESCOc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(P2C(C)(C)CC(=O)CC2(C)C)cc1OC.COc1cc(OC)cc(-c2ccccc2P2C(C)(C)CC(=O)CC2(C)C)c1
InChIInChI=1S/C32H47O3P.C23H29O3P/c1-19(2)22-13-24(20(3)4)30(25(14-22)21(5)6)26-15-27(34-11)28(35-12)16-29(26)36-31(7,8)17-23(33)18-32(36,9)10;1-22(2)14-17(24)15-23(3,4)27(22)21-10-8-7-9-20(21)16-11-18(25-5)13-19(12-16)26-6/h13-16,19-21H,17-18H2,1-12H3;7-13H,14-15H2,1-6H3
InChIKeyGPSHMMIEYRIALO-UHFFFAOYSA-N
XLogP14.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.15
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one (CID 158328556) is 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one is COc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(P2C(C)(C)CC(=O)CC2(C)C)cc1OC.COc1cc(OC)cc(-c2ccccc2P2C(C)(C)CC(=O)CC2(C)C)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The InChIKey is GPSHMMIEYRIALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47O3P.C23H29O3P/c1-19(2)22-13-24(20(3)4)30(25(14-22)21(5)6)26-15-27(34-11)28(35-12)16-29(26)36-31(7,8)17-23(33)18-32(36,9)10;1-22(2)14-17(24)15-23(3,4)27(22)21-10-8-7-9-20(21)16-11-18(25-5)13-19(12-16)26-6/h13-16,19-21H,17-18H2,1-12H3;7-13H,14-15H2,1-6H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one has a molecular weight of 895.15 g/mol, XLogP of 14.17, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one is sourced from PubChem (CID 158328556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).