1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol

C10H14I2NO4P — CID 10648954

IUPAC1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol
SMILESCOP(=O)(CC(O)c1cc(N)c(I)cc1I)OC
InChIInChI=1S/C10H14I2NO4P/c1-16-18(15,17-2)5-10(14)6-3-9(13)8(12)4-7(6)11/h3-4,10,14H,5,13H2,1-2H3
InChIKeyCSLUXAMTVLKIRV-UHFFFAOYSA-N
MW497.01 g/mol
LogP3.00
Rot. Bonds5

About 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol

1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol (PubChem CID 10648954) has the molecular formula C10H14I2NO4P and a molecular weight of 497.01 g/mol. Its IUPAC name is 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol.

Molecular Properties

Compound Name1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol
PubChem CID10648954
Molecular FormulaC10H14I2NO4P
Molecular Weight497.01 g/mol
Exact Mass496.87
IUPAC Name1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol
SMILESCOP(=O)(CC(O)c1cc(N)c(I)cc1I)OC
InChIInChI=1S/C10H14I2NO4P/c1-16-18(15,17-2)5-10(14)6-3-9(13)8(12)4-7(6)11/h3-4,10,14H,5,13H2,1-2H3
InChIKeyCSLUXAMTVLKIRV-UHFFFAOYSA-N
XLogP3.00
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
CID 101339254
2,4-diiodo-5-[1-(methoxymethoxy)propan-2-yl]aniline
CID 58495344
3-dimethoxyphosphorylpropane-1,2-diol
CID 129239844
3,5-bis(dimethoxyphosphorylmethyl)aniline
CID 10711962
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
CID 59228675
methyl 4-amino-2-chloro-5-iodobenzoate
CID 11839203
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
(2R)-2-[(4-amino-5-iodo-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416081
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
3,5-bis(dimethoxyphosphorylmethyl)benzoic acid
CID 15881526

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol?
The IUPAC name of 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol (CID 10648954) is 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol.
What is the SMILES notation for 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol?
The canonical SMILES for 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol is COP(=O)(CC(O)c1cc(N)c(I)cc1I)OC.
What is the InChIKey of 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol?
The InChIKey is CSLUXAMTVLKIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14I2NO4P/c1-16-18(15,17-2)5-10(14)6-3-9(13)8(12)4-7(6)11/h3-4,10,14H,5,13H2,1-2H3.
What are the key properties of 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol?
1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol has a molecular weight of 497.01 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol is sourced from PubChem (CID 10648954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).