2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol

C11H17O5P — CID 117060650

IUPAC2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CP(=O)(OC)OC
InChIInChI=1S/C11H17O5P/c1-14-11-7-5-4-6-9(11)10(12)8-17(13,15-2)16-3/h4-7,10,12H,8H2,1-3H3
InChIKeyVKXOXSPFYXQUDR-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.21
Rot. Bonds6

About 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol

2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol (PubChem CID 117060650) has the molecular formula C11H17O5P and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
PubChem CID117060650
Molecular FormulaC11H17O5P
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CP(=O)(OC)OC
InChIInChI=1S/C11H17O5P/c1-14-11-7-5-4-6-9(11)10(12)8-17(13,15-2)16-3/h4-7,10,12H,8H2,1-3H3
InChIKeyVKXOXSPFYXQUDR-UHFFFAOYSA-N
XLogP2.21
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-dimethoxyphosphoryl-1-hydroxyethyl]phenol
CID 102595355
(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
CID 101339254
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
CID 87403011
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol (CID 117060650) is 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)CP(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol?
The InChIKey is VKXOXSPFYXQUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5P/c1-14-11-7-5-4-6-9(11)10(12)8-17(13,15-2)16-3/h4-7,10,12H,8H2,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol?
2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol has a molecular weight of 260.23 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 117060650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).