2-(4-ethenylphenyl)ethyl prop-2-enoate

C13H14O2 — CID 163299720

IUPAC2-(4-ethenylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(C=C)cc1
InChIInChI=1S/C13H14O2/c1-3-11-5-7-12(8-6-11)9-10-15-13(14)4-2/h3-8H,1-2,9-10H2
InChIKeyDFBCBNRONLYCEI-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-ethenylphenyl)ethyl prop-2-enoate

2-(4-ethenylphenyl)ethyl prop-2-enoate (PubChem CID 163299720) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-ethenylphenyl)ethyl prop-2-enoate
PubChem CID163299720
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(4-ethenylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(C=C)cc1
InChIInChI=1S/C13H14O2/c1-3-11-5-7-12(8-6-11)9-10-15-13(14)4-2/h3-8H,1-2,9-10H2
InChIKeyDFBCBNRONLYCEI-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
CID 154622094
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
3-(4-ethenylphenyl)propyl carbonochloridate
CID 139984757

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)ethyl prop-2-enoate?
The IUPAC name of 2-(4-ethenylphenyl)ethyl prop-2-enoate (CID 163299720) is 2-(4-ethenylphenyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-ethenylphenyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-ethenylphenyl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(C=C)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)ethyl prop-2-enoate?
The InChIKey is DFBCBNRONLYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-11-5-7-12(8-6-11)9-10-15-13(14)4-2/h3-8H,1-2,9-10H2.
What are the key properties of 2-(4-ethenylphenyl)ethyl prop-2-enoate?
2-(4-ethenylphenyl)ethyl prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)ethyl prop-2-enoate is sourced from PubChem (CID 163299720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).