(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol

C11H13ClIO4P — CID 6023894

IUPAC(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C(\Cl)c1ccc(I)cc1
InChIInChI=1S/C11H13ClIO4P/c1-16-18(15,17-2)11(14)7-10(12)8-3-5-9(13)6-4-8/h3-7,11,14H,1-2H3/b10-7-
InChIKeyGXZOHSITQQXYCT-YFHOEESVSA-N
MW402.55 g/mol
LogP3.68
Rot. Bonds5

About (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol

(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol (PubChem CID 6023894) has the molecular formula C11H13ClIO4P and a molecular weight of 402.55 g/mol. Its IUPAC name is (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
PubChem CID6023894
Molecular FormulaC11H13ClIO4P
Molecular Weight402.55 g/mol
Exact Mass401.93
IUPAC Name(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C(\Cl)c1ccc(I)cc1
InChIInChI=1S/C11H13ClIO4P/c1-16-18(15,17-2)11(14)7-10(12)8-3-5-9(13)6-4-8/h3-7,11,14H,1-2H3/b10-7-
InChIKeyGXZOHSITQQXYCT-YFHOEESVSA-N
XLogP3.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol (CID 6023894) is (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol is COP(=O)(OC)C(O)/C=C(\Cl)c1ccc(I)cc1.
What is the InChIKey of (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol?
The InChIKey is GXZOHSITQQXYCT-YFHOEESVSA-N. The full InChI is InChI=1S/C11H13ClIO4P/c1-16-18(15,17-2)11(14)7-10(12)8-3-5-9(13)6-4-8/h3-7,11,14H,1-2H3/b10-7-.
What are the key properties of (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol?
(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol has a molecular weight of 402.55 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol is sourced from PubChem (CID 6023894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).