phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate

C23H20O4 — CID 89388699

IUPACphenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(OCCOc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C23H20O4/c24-23(27-22-9-5-2-6-10-22)16-13-19-11-14-21(15-12-19)26-18-17-25-20-7-3-1-4-8-20/h1-16H,17-18H2/b16-13+
InChIKeyGIVLYKYRNDJLPK-DTQAZKPQSA-N
MW360.41 g/mol
LogP4.76
Rot. Bonds8

About phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate

phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate (PubChem CID 89388699) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namephenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
PubChem CID89388699
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Namephenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(OCCOc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C23H20O4/c24-23(27-22-9-5-2-6-10-22)16-13-19-11-14-21(15-12-19)26-18-17-25-20-7-3-1-4-8-20/h1-16H,17-18H2/b16-13+
InChIKeyGIVLYKYRNDJLPK-DTQAZKPQSA-N
XLogP4.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-butoxyphenyl) 3-(4-pentoxyphenyl)prop-2-enoate
CID 91291919
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
CID 141374619
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate?
The IUPAC name of phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate (CID 89388699) is phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate?
The canonical SMILES for phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate is O=C(/C=C/c1ccc(OCCOc2ccccc2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate?
The InChIKey is GIVLYKYRNDJLPK-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H20O4/c24-23(27-22-9-5-2-6-10-22)16-13-19-11-14-21(15-12-19)26-18-17-25-20-7-3-1-4-8-20/h1-16H,17-18H2/b16-13+.
What are the key properties of phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate?
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate has a molecular weight of 360.41 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 89388699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).