(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol

C11H15O5P — CID 13199975

IUPAC(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
SMILESCOc1ccc(/C=C(\O)P(=O)(OC)OC)cc1
InChIInChI=1S/C11H15O5P/c1-14-10-6-4-9(5-7-10)8-11(12)17(13,15-2)16-3/h4-8,12H,1-3H3/b11-8+
InChIKeyUSJSYBDDVFBFFO-DHZHZOJOSA-N
MW258.21 g/mol
LogP3.04
Rot. Bonds5

About (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol

(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol (PubChem CID 13199975) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
PubChem CID13199975
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
SMILESCOc1ccc(/C=C(\O)P(=O)(OC)OC)cc1
InChIInChI=1S/C11H15O5P/c1-14-10-6-4-9(5-7-10)8-11(12)17(13,15-2)16-3/h4-8,12H,1-3H3/b11-8+
InChIKeyUSJSYBDDVFBFFO-DHZHZOJOSA-N
XLogP3.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
CID 13199973
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 102323559
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol?
The IUPAC name of (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol (CID 13199975) is (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol is COc1ccc(/C=C(\O)P(=O)(OC)OC)cc1.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol?
The InChIKey is USJSYBDDVFBFFO-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H15O5P/c1-14-10-6-4-9(5-7-10)8-11(12)17(13,15-2)16-3/h4-8,12H,1-3H3/b11-8+.
What are the key properties of (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol?
(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol has a molecular weight of 258.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol is sourced from PubChem (CID 13199975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).