(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol

C10H12ClO4P — CID 13199973

IUPAC(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)/C(O)=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(12)7-8-3-5-9(11)6-4-8/h3-7,12H,1-2H3/b10-7+
InChIKeyDKZMJIBTEIBRKZ-JXMROGBWSA-N
MW262.63 g/mol
LogP3.68
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol

(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol (PubChem CID 13199973) has the molecular formula C10H12ClO4P and a molecular weight of 262.63 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
PubChem CID13199973
Molecular FormulaC10H12ClO4P
Molecular Weight262.63 g/mol
Exact Mass262.02
IUPAC Name(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)/C(O)=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(12)7-8-3-5-9(11)6-4-8/h3-7,12H,1-2H3/b10-7+
InChIKeyDKZMJIBTEIBRKZ-JXMROGBWSA-N
XLogP3.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
CID 88713945
(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137
(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
CID 13199975
1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
CID 102168111
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
3-(4-chlorophenyl)-1-dimethoxyphosphorylpropan-1-one
CID 13287894
(2Z)-2-[(4-chlorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 115042918
2-bromo-3-(4-chlorophenyl)prop-2-enoic acid
CID 4737526
5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
CID 71336819
methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate
CID 24874490
(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
CID 98061190
(E)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
CID 5384034

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol?
The IUPAC name of (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol (CID 13199973) is (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol?
The canonical SMILES for (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol is COP(=O)(OC)/C(O)=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol?
The InChIKey is DKZMJIBTEIBRKZ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H12ClO4P/c1-14-16(13,15-2)10(12)7-8-3-5-9(11)6-4-8/h3-7,12H,1-2H3/b10-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol?
(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol has a molecular weight of 262.63 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol is sourced from PubChem (CID 13199973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).