[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate

C23H20O3 — CID 150733886

IUPAC[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O3/c1-2-23(24)25-17-22(20-11-7-4-8-12-20)26-21-15-13-19(14-16-21)18-9-5-3-6-10-18/h2-16,22H,1,17H2
InChIKeyJSKISVASQOPOGJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.20
Rot. Bonds7

About [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate

[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate (PubChem CID 150733886) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
PubChem CID150733886
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O3/c1-2-23(24)25-17-22(20-11-7-4-8-12-20)26-21-15-13-19(14-16-21)18-9-5-3-6-10-18/h2-16,22H,1,17H2
InChIKeyJSKISVASQOPOGJ-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-2-prop-2-enylperoxyethyl) prop-2-enoate
CID 58091840
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
CID 145114679
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
(2-cyano-2-phenylethyl) prop-2-enoate
CID 67546992
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
5-(4-phenylphenyl)sulfanylpentyl prop-2-enoate
CID 118222523
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate?
The IUPAC name of [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate (CID 150733886) is [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate.
What is the SMILES notation for [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate?
The canonical SMILES for [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate is C=CC(=O)OCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate?
The InChIKey is JSKISVASQOPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-2-23(24)25-17-22(20-11-7-4-8-12-20)26-21-15-13-19(14-16-21)18-9-5-3-6-10-18/h2-16,22H,1,17H2.
What are the key properties of [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate?
[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate is sourced from PubChem (CID 150733886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).