ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate

C22H20NO3P — CID 155666561

IUPACethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1P(=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H20NO3P/c1-2-26-22(24)16-15-18-10-6-7-13-20(18)27(25,19-11-4-3-5-12-19)21-14-8-9-17-23-21/h3-17H,2H2,1H3
InChIKeyCVHRYNJIFPKSFM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.30
Rot. Bonds6

About ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate

ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate (PubChem CID 155666561) has the molecular formula C22H20NO3P and a molecular weight of 377.38 g/mol. Its IUPAC name is ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate
PubChem CID155666561
Molecular FormulaC22H20NO3P
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Nameethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1P(=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H20NO3P/c1-2-26-22(24)16-15-18-10-6-7-13-20(18)27(25,19-11-4-3-5-12-19)21-14-8-9-17-23-21/h3-17H,2H2,1H3
InChIKeyCVHRYNJIFPKSFM-UHFFFAOYSA-N
XLogP3.30
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[2-(2-diphenylphosphorylphenyl)thiophen-3-yl]prop-2-enoate
CID 134957819
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
ethyl (E)-3-[2-[2-diphenylphosphoryl-4-(trifluoromethyl)phenyl]-3-methylphenyl]prop-2-enoate
CID 102110201
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl (E)-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 80545663

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate (CID 155666561) is ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccccc1P(=O)(c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate?
The InChIKey is CVHRYNJIFPKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO3P/c1-2-26-22(24)16-15-18-10-6-7-13-20(18)27(25,19-11-4-3-5-12-19)21-14-8-9-17-23-21/h3-17H,2H2,1H3.
What are the key properties of ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate?
ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate has a molecular weight of 377.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate is sourced from PubChem (CID 155666561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).