[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one

C55H80O3P2 — CID 159644264

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

[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one (PubChem CID 159644264) has the molecular formula C55H80O3P2 and a molecular weight of 851.19 g/mol. Its IUPAC name is [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one.

Molecular Properties

• Compound Name: [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
• PubChem CID: 159644264
• Molecular Formula: C55H80O3P2
• Molecular Weight: 851.19 g/mol
• Exact Mass: 850.56
• IUPAC Name: [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
• SMILES: COc1cc(P2C(C)(C)CC(=O)CC2(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1C.COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P
• InChI: InChI=1S/C32H47O2P.C23H33OP/c1-19(2)23-14-25(20(3)4)30(26(15-23)21(5)6)27-13-22(7)28(34-12)16-29(27)35-31(8,9)17-24(33)18-32(35,10)11;1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)21-16(7)9-10-20(24-8)23(21)25/h13-16,19-21H,17-18H2,1-12H3;9-15H,25H2,1-8H3
• InChIKey: MQTGLPZXQRATOG-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.19
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?

The IUPAC name of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one (CID 159644264) is [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one.

What is the SMILES notation for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?

The canonical SMILES for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one is COc1cc(P2C(C)(C)CC(=O)CC2(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1C.COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P.

What is the InChIKey of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?

The InChIKey is MQTGLPZXQRATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47O2P.C23H33OP/c1-19(2)23-14-25(20(3)4)30(26(15-23)21(5)6)27-13-22(7)28(34-12)16-29(27)35-31(8,9)17-24(33)18-32(35,10)11;1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)21-16(7)9-10-20(24-8)23(21)25/h13-16,19-21H,17-18H2,1-12H3;9-15H,25H2,1-8H3.

What are the key properties of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one?

[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one has a molecular weight of 851.19 g/mol, XLogP of 15.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one is sourced from PubChem (CID 159644264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).