phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate

C23H22O5P- — CID 141016293

IUPACphenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
SMILESCOc1c(C)c(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1Oc1ccccc1
InChIInChI=1S/C23H23O5P/c1-15-18(25-2)20(28-17-13-9-6-10-14-17)19(26-3)21(27-4)22(15)29-23(24)16-11-7-5-8-12-16/h5-14,24H,1-4H3/p-1
InChIKeyZBNWYWXUSYHERZ-UHFFFAOYSA-M
MW409.40 g/mol
LogP3.92
Rot. Bonds7

About phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate

phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate (PubChem CID 141016293) has the molecular formula C23H22O5P- and a molecular weight of 409.40 g/mol. Its IUPAC name is phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate.

Molecular Properties

Compound Namephenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
PubChem CID141016293
Molecular FormulaC23H22O5P-
Molecular Weight409.40 g/mol
Exact Mass409.12
IUPAC Namephenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
SMILESCOc1c(C)c(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1Oc1ccccc1
InChIInChI=1S/C23H23O5P/c1-15-18(25-2)20(28-17-13-9-6-10-14-17)19(26-3)21(27-4)22(15)29-23(24)16-11-7-5-8-12-16/h5-14,24H,1-4H3/p-1
InChIKeyZBNWYWXUSYHERZ-UHFFFAOYSA-M
XLogP3.92
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.92
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

1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
(3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate
CID 175181798
phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate
CID 141016336
1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
2-methyl-3-phenoxybenzene-1,4-diol
CID 22159501
(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate
CID 175365067
phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate
CID 141016141
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
potassium phenoxybenzene
CID 19858586
anisole;1-phenylethanone;toluene
CID 157308620
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate?
The IUPAC name of phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate (CID 141016293) is phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate.
What is the SMILES notation for phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate?
The canonical SMILES for phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate is COc1c(C)c(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1Oc1ccccc1.
What is the InChIKey of phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate?
The InChIKey is ZBNWYWXUSYHERZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23O5P/c1-15-18(25-2)20(28-17-13-9-6-10-14-17)19(26-3)21(27-4)22(15)29-23(24)16-11-7-5-8-12-16/h5-14,24H,1-4H3/p-1.
What are the key properties of phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate?
phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate has a molecular weight of 409.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate is sourced from PubChem (CID 141016293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).