methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate

C18H19Cl2O6P — CID 137391220

IUPACmethyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate
SMILESCOC(=O)c1c(Cl)cc(C(O)CP(=O)(OC)c2cccc(OC)c2)cc1Cl
InChIInChI=1S/C18H19Cl2O6P/c1-24-12-5-4-6-13(9-12)27(23,26-3)10-16(21)11-7-14(19)17(15(20)8-11)18(22)25-2/h4-9,16,21H,10H2,1-3H3
InChIKeyXSLKWLFNPOFJEN-UHFFFAOYSA-N
MW433.22 g/mol
LogP4.07
Rot. Bonds7

About methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate

methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate (PubChem CID 137391220) has the molecular formula C18H19Cl2O6P and a molecular weight of 433.22 g/mol. Its IUPAC name is methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate
PubChem CID137391220
Molecular FormulaC18H19Cl2O6P
Molecular Weight433.22 g/mol
Exact Mass432.03
IUPAC Namemethyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate
SMILESCOC(=O)c1c(Cl)cc(C(O)CP(=O)(OC)c2cccc(OC)c2)cc1Cl
InChIInChI=1S/C18H19Cl2O6P/c1-24-12-5-4-6-13(9-12)27(23,26-3)10-16(21)11-7-14(19)17(15(20)8-11)18(22)25-2/h4-9,16,21H,10H2,1-3H3
InChIKeyXSLKWLFNPOFJEN-UHFFFAOYSA-N
XLogP4.07
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[2-[(3-methoxyphenyl)-methylphosphoryl]ethyl]benzoic acid
CID 175512520
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
methyl 3-amino-2,6-dichloro-4-[(3-methoxyphenyl)methylcarbamoyl]benzoate
CID 166518762
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 94600273
(2S)-2-[[2,6-dichloro-4-[(E)-4-[methoxy-(3-methoxyphenyl)phosphoryl]but-3-en-2-yl]benzoyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
CID 137391166
methyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1129124
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate?
The IUPAC name of methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate (CID 137391220) is methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate.
What is the SMILES notation for methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate?
The canonical SMILES for methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate is COC(=O)c1c(Cl)cc(C(O)CP(=O)(OC)c2cccc(OC)c2)cc1Cl.
What is the InChIKey of methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate?
The InChIKey is XSLKWLFNPOFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2O6P/c1-24-12-5-4-6-13(9-12)27(23,26-3)10-16(21)11-7-14(19)17(15(20)8-11)18(22)25-2/h4-9,16,21H,10H2,1-3H3.
What are the key properties of methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate?
methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate has a molecular weight of 433.22 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-4-[1-hydroxy-2-[methoxy-(3-methoxyphenyl)phosphoryl]ethyl]benzoate is sourced from PubChem (CID 137391220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).