phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate

C20H24O5P- — CID 141016336

IUPACphenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate
SMILESCOc1cc(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1OCC(C)C
InChIInChI=1S/C20H25O5P/c1-13(2)12-25-17-15(22-3)11-16(18(23-4)19(17)24-5)26-20(21)14-9-7-6-8-10-14/h6-11,13,21H,12H2,1-5H3/p-1
InChIKeyBHGCANQFKVKNFQ-UHFFFAOYSA-M
MW375.38 g/mol
LogP2.86
Rot. Bonds8

About phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate

phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate (PubChem CID 141016336) has the molecular formula C20H24O5P- and a molecular weight of 375.38 g/mol. Its IUPAC name is phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate.

Molecular Properties

Compound Namephenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate
PubChem CID141016336
Molecular FormulaC20H24O5P-
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Namephenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate
SMILESCOc1cc(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1OCC(C)C
InChIInChI=1S/C20H25O5P/c1-13(2)12-25-17-15(22-3)11-16(18(23-4)19(17)24-5)26-20(21)14-9-7-6-8-10-14/h6-11,13,21H,12H2,1-5H3/p-1
InChIKeyBHGCANQFKVKNFQ-UHFFFAOYSA-M
XLogP2.86
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.86
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

3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
CID 86195094
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
CID 141016293
[3,4-dimethoxy-2-(2-methylpropoxy)phenyl]boronic acid
CID 67467385
(2-amino-2-oxo-1-phenylethyl) 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 18135379
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
3-[2-methoxy-3-(2-methylpropoxy)phenyl]-2-oxopropanoic acid
CID 82161293
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442

Frequently Asked Questions

What is the IUPAC name of phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate?
The IUPAC name of phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate (CID 141016336) is phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate.
What is the SMILES notation for phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate?
The canonical SMILES for phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate is COc1cc(/P=C(\[O-])c2ccccc2)c(OC)c(OC)c1OCC(C)C.
What is the InChIKey of phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate?
The InChIKey is BHGCANQFKVKNFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H25O5P/c1-13(2)12-25-17-15(22-3)11-16(18(23-4)19(17)24-5)26-20(21)14-9-7-6-8-10-14/h6-11,13,21H,12H2,1-5H3/p-1.
What are the key properties of phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate?
phenyl-[2,3,5-trimethoxy-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate has a molecular weight of 375.38 g/mol, XLogP of 2.86, 8 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-4-(2-methylpropoxy)phenyl]phosphanylidenemethanolate is sourced from PubChem (CID 141016336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).