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

C20H25O5P — CID 18514500

IUPAC[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H25O5P/c1-20(2,3)25-13-7-9-15(10-8-13)26-19(21)18-16(23-5)11-14(22-4)12-17(18)24-6/h7-12,26H,1-6H3
InChIKeyQMXODUGFQGCNRP-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.03
Rot. Bonds7

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

[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18514500) has the molecular formula C20H25O5P and a molecular weight of 376.39 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18514500
Molecular FormulaC20H25O5P
Molecular Weight376.39 g/mol
Exact Mass376.14
IUPAC Name[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H25O5P/c1-20(2,3)25-13-7-9-15(10-8-13)26-19(21)18-16(23-5)11-14(22-4)12-17(18)24-6/h7-12,26H,1-6H3
InChIKeyQMXODUGFQGCNRP-UHFFFAOYSA-N
XLogP4.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 173245466
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
CID 70015745
CID 70015745
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
CID 70014312
CID 70014312
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18514500) is [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)Pc2ccc(OC(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is QMXODUGFQGCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O5P/c1-20(2,3)25-13-7-9-15(10-8-13)26-19(21)18-16(23-5)11-14(22-4)12-17(18)24-6/h7-12,26H,1-6H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 376.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18514500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).