3-(4-ethenylphenyl)propyl prop-2-enoate

C14H16O2 — CID 163299713

IUPAC3-(4-ethenylphenyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(C=C)cc1
InChIInChI=1S/C14H16O2/c1-3-12-7-9-13(10-8-12)6-5-11-16-14(15)4-2/h3-4,7-10H,1-2,5-6,11H2
InChIKeyWSJHLXHIRSYXMI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.99
Rot. Bonds6

About 3-(4-ethenylphenyl)propyl prop-2-enoate

3-(4-ethenylphenyl)propyl prop-2-enoate (PubChem CID 163299713) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-ethenylphenyl)propyl prop-2-enoate
PubChem CID163299713
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(4-ethenylphenyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(C=C)cc1
InChIInChI=1S/C14H16O2/c1-3-12-7-9-13(10-8-12)6-5-11-16-14(15)4-2/h3-4,7-10H,1-2,5-6,11H2
InChIKeyWSJHLXHIRSYXMI-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
3-(4-ethenylphenyl)propyl carbonochloridate
CID 139984757
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
3-[4-[3-dodecyl-6,8-bis(4-ethenylphenyl)pyren-1-yl]phenyl]propyl prop-2-enoate
CID 118934518
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)propyl prop-2-enoate?
The IUPAC name of 3-(4-ethenylphenyl)propyl prop-2-enoate (CID 163299713) is 3-(4-ethenylphenyl)propyl prop-2-enoate.
What is the SMILES notation for 3-(4-ethenylphenyl)propyl prop-2-enoate?
The canonical SMILES for 3-(4-ethenylphenyl)propyl prop-2-enoate is C=CC(=O)OCCCc1ccc(C=C)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)propyl prop-2-enoate?
The InChIKey is WSJHLXHIRSYXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-12-7-9-13(10-8-12)6-5-11-16-14(15)4-2/h3-4,7-10H,1-2,5-6,11H2.
What are the key properties of 3-(4-ethenylphenyl)propyl prop-2-enoate?
3-(4-ethenylphenyl)propyl prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)propyl prop-2-enoate is sourced from PubChem (CID 163299713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).