2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate

C25H22O3 — CID 167210341

IUPAC2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22O3/c1-2-25(26)28-18-17-27-23-15-13-20(14-16-23)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,19H,1,17-18H2
InChIKeyAYTWIQFFZOCYNR-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.38
Rot. Bonds8

About 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate

2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate (PubChem CID 167210341) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
PubChem CID167210341
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22O3/c1-2-25(26)28-18-17-27-23-15-13-20(14-16-23)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,19H,1,17-18H2
InChIKeyAYTWIQFFZOCYNR-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]-1-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 22089691
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-phenoxyethyl 3,3-diphenylprop-2-enoate
CID 71400914
4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
CID 168764604
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
CID 59017570
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate (CID 167210341) is 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is AYTWIQFFZOCYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c1-2-25(26)28-18-17-27-23-15-13-20(14-16-23)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,19H,1,17-18H2.
What are the key properties of 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate?
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 370.45 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 167210341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).