[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C24H33O6P — CID 18515293

IUPAC[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2OC(C)(C)C)c(OC)c1
InChIInChI=1S/C24H33O6P/c1-23(2,3)29-15-10-11-20(17(12-15)30-24(4,5)6)31-22(25)21-18(27-8)13-16(26-7)14-19(21)28-9/h10-14,31H,1-9H3
InChIKeyYCTYEKOSVOKNIO-UHFFFAOYSA-N
MW448.50 g/mol
LogP5.21
Rot. Bonds8

About [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18515293) has the molecular formula C24H33O6P and a molecular weight of 448.50 g/mol. Its IUPAC name is [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18515293
Molecular FormulaC24H33O6P
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2OC(C)(C)C)c(OC)c1
InChIInChI=1S/C24H33O6P/c1-23(2,3)29-15-10-11-20(17(12-15)30-24(4,5)6)31-22(25)21-18(27-8)13-16(26-7)14-19(21)28-9/h10-14,31H,1-9H3
InChIKeyYCTYEKOSVOKNIO-UHFFFAOYSA-N
XLogP5.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500
lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 173245466
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
CID 70015745
CID 70015745
CID 70014312
CID 70014312
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913

Frequently Asked Questions

What is the IUPAC name of [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18515293) is [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2OC(C)(C)C)c(OC)c1.
What is the InChIKey of [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is YCTYEKOSVOKNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O6P/c1-23(2,3)29-15-10-11-20(17(12-15)30-24(4,5)6)31-22(25)21-18(27-8)13-16(26-7)14-19(21)28-9/h10-14,31H,1-9H3.
What are the key properties of [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 448.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18515293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).