(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C22H21O5P — CID 18513535

IUPAC(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H21O5P/c1-24-17-13-19(25-2)21(20(14-17)26-3)22(23)28-18-11-9-16(10-12-18)27-15-7-5-4-6-8-15/h4-14,28H,1-3H3
InChIKeyYBCGEXUYVBQPKL-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.65
Rot. Bonds8

About (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18513535) has the molecular formula C22H21O5P and a molecular weight of 396.38 g/mol. Its IUPAC name is (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18513535
Molecular FormulaC22H21O5P
Molecular Weight396.38 g/mol
Exact Mass396.11
IUPAC Name(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H21O5P/c1-24-17-13-19(25-2)21(20(14-17)26-3)22(23)28-18-11-9-16(10-12-18)27-15-7-5-4-6-8-15/h4-14,28H,1-3H3
InChIKeyYBCGEXUYVBQPKL-UHFFFAOYSA-N
XLogP4.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.65
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

phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
CID 70014914
CID 70014914
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
CID 18514686
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
CID 70012958
CID 70012958

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18513535) is (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)Pc2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is YBCGEXUYVBQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O5P/c1-24-17-13-19(25-2)21(20(14-17)26-3)22(23)28-18-11-9-16(10-12-18)27-15-7-5-4-6-8-15/h4-14,28H,1-3H3.
What are the key properties of (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 396.38 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18513535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).