(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol

C15H25O6P — CID 101193123

IUPAC(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc([C@H](O)[C@H](O)P(=O)(OC(C)C)OC(C)C)cc1
InChIInChI=1S/C15H25O6P/c1-10(2)20-22(18,21-11(3)4)15(17)14(16)12-6-8-13(19-5)9-7-12/h6-11,14-17H,1-5H3/t14-,15+/m0/s1
InChIKeyPDQFZZUFEBZMFM-LSDHHAIUSA-N
MW332.33 g/mol
LogP3.09
Rot. Bonds8

About (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol

(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol (PubChem CID 101193123) has the molecular formula C15H25O6P and a molecular weight of 332.33 g/mol. Its IUPAC name is (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
PubChem CID101193123
Molecular FormulaC15H25O6P
Molecular Weight332.33 g/mol
Exact Mass332.14
IUPAC Name(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc([C@H](O)[C@H](O)P(=O)(OC(C)C)OC(C)C)cc1
InChIInChI=1S/C15H25O6P/c1-10(2)20-22(18,21-11(3)4)15(17)14(16)12-6-8-13(19-5)9-7-12/h6-11,14-17H,1-5H3/t14-,15+/m0/s1
InChIKeyPDQFZZUFEBZMFM-LSDHHAIUSA-N
XLogP3.09
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[di(propan-2-yloxy)phosphoryl-(4-methoxyphenyl)methyl]-2-methylbenzene
CID 102231341
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
N-[(1R,2S)-2-bromo-2-di(propan-2-yloxy)phosphoryl-1-(4-methoxyphenyl)ethyl]acetamide
CID 11154810
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622
[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
CID 91135841
CID 175713586
CID 175713586
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-4-methoxybenzamide
CID 101452186
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol (CID 101193123) is (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol is COc1ccc([C@H](O)[C@H](O)P(=O)(OC(C)C)OC(C)C)cc1.
What is the InChIKey of (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol?
The InChIKey is PDQFZZUFEBZMFM-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H25O6P/c1-10(2)20-22(18,21-11(3)4)15(17)14(16)12-6-8-13(19-5)9-7-12/h6-11,14-17H,1-5H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol?
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol has a molecular weight of 332.33 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 101193123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).