(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol

C11H13Cl2O4P — CID 5473093

IUPAC(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2O4P/c1-16-18(15,17-2)11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7,11,14H,1-2H3/b10-7-
InChIKeyCNONALSSANSMRX-YFHOEESVSA-N
MW311.10 g/mol
LogP3.72
Rot. Bonds5

About (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol

(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol (PubChem CID 5473093) has the molecular formula C11H13Cl2O4P and a molecular weight of 311.10 g/mol. Its IUPAC name is (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
PubChem CID5473093
Molecular FormulaC11H13Cl2O4P
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2O4P/c1-16-18(15,17-2)11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7,11,14H,1-2H3/b10-7-
InChIKeyCNONALSSANSMRX-YFHOEESVSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol (CID 5473093) is (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol is COP(=O)(OC)C(O)/C=C(\Cl)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The InChIKey is CNONALSSANSMRX-YFHOEESVSA-N. The full InChI is InChI=1S/C11H13Cl2O4P/c1-16-18(15,17-2)11(14)7-10(13)8-3-5-9(12)6-4-8/h3-7,11,14H,1-2H3/b10-7-.
What are the key properties of (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
(Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol has a molecular weight of 311.10 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol is sourced from PubChem (CID 5473093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).