methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate

C16H25O7P — CID 102113865

IUPACmethyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(OC)cc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C16H25O7P/c1-11(2)22-24(19,23-12(3)4)16(18,15(17)21-6)13-7-9-14(20-5)10-8-13/h7-12,18H,1-6H3
InChIKeyLCPDBQJHQMDBEL-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.06
Rot. Bonds8

About methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate

methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate (PubChem CID 102113865) has the molecular formula C16H25O7P and a molecular weight of 360.34 g/mol. Its IUPAC name is methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate
PubChem CID102113865
Molecular FormulaC16H25O7P
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(OC)cc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C16H25O7P/c1-11(2)22-24(19,23-12(3)4)16(18,15(17)21-6)13-7-9-14(20-5)10-8-13/h7-12,18H,1-6H3
InChIKeyLCPDBQJHQMDBEL-UHFFFAOYSA-N
XLogP3.06
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-4-methoxybenzamide
CID 101452186
propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate
CID 53383617
2-dimethoxyphosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetonitrile
CID 102306314
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
CID 101193123
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
CID 177408752
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668

Frequently Asked Questions

What is the IUPAC name of methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate (CID 102113865) is methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate is COC(=O)C(O)(c1ccc(OC)cc1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate?
The InChIKey is LCPDBQJHQMDBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O7P/c1-11(2)22-24(19,23-12(3)4)16(18,15(17)21-6)13-7-9-14(20-5)10-8-13/h7-12,18H,1-6H3.
What are the key properties of methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate?
methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate has a molecular weight of 360.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 102113865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).