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

C11H13Cl2O4P — CID 7018978

IUPAC(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
SMILESCOP(=O)(OC)[C@H](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-/t11-/m0/s1
InChIKeyCNONALSSANSMRX-BRNRAETOSA-N
MW311.10 g/mol
LogP3.72
Rot. Bonds5

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

(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol (PubChem CID 7018978) has the molecular formula C11H13Cl2O4P and a molecular weight of 311.10 g/mol. Its IUPAC name is (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
PubChem CID7018978
Molecular FormulaC11H13Cl2O4P
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
SMILESCOP(=O)(OC)[C@H](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-/t11-/m0/s1
InChIKeyCNONALSSANSMRX-BRNRAETOSA-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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Related Compounds

(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
CID 6023894
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099
3-chloro-1-dimethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 2780835
4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 34255344
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
CID 88784401
1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
CID 101478074
[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
CID 6446895
(4-chlorobenzoyl)-trihydroxyphosphanium
CID 56622111
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The IUPAC name of (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol (CID 7018978) is (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol.
What is the SMILES notation for (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The canonical SMILES for (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol is COP(=O)(OC)[C@H](O)/C=C(\Cl)c1ccc(Cl)cc1.
What is the InChIKey of (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
The InChIKey is CNONALSSANSMRX-BRNRAETOSA-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-/t11-/m0/s1.
What are the key properties of (Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol?
(Z,1S)-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,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol is sourced from PubChem (CID 7018978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).