2-prop-2-enoyloxyethyl 4-phenylbutanoate

C15H18O4 — CID 66685598

IUPAC2-prop-2-enoyloxyethyl 4-phenylbutanoate
SMILESC=CC(=O)OCCOC(=O)CCCc1ccccc1
InChIInChI=1S/C15H18O4/c1-2-14(16)18-11-12-19-15(17)10-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyPWTLVJUQHIFNKF-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.28
Rot. Bonds8

About 2-prop-2-enoyloxyethyl 4-phenylbutanoate

2-prop-2-enoyloxyethyl 4-phenylbutanoate (PubChem CID 66685598) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 4-phenylbutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 4-phenylbutanoate
PubChem CID66685598
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-prop-2-enoyloxyethyl 4-phenylbutanoate
SMILESC=CC(=O)OCCOC(=O)CCCc1ccccc1
InChIInChI=1S/C15H18O4/c1-2-14(16)18-11-12-19-15(17)10-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyPWTLVJUQHIFNKF-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.28
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'}

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Related Compounds

bis(3-phenylpropyl) hexanedioate
CID 59854363
bis(3-phenylpropyl) decanedioate
CID 91710064
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
phthalic acid;2-prop-2-enoyloxyethyl octadecanoate
CID 159282243
benzyl 4-phenylbutanoate
CID 11961623
2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
CID 171762741
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
CID 159790873

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 4-phenylbutanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 4-phenylbutanoate (CID 66685598) is 2-prop-2-enoyloxyethyl 4-phenylbutanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 4-phenylbutanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 4-phenylbutanoate is C=CC(=O)OCCOC(=O)CCCc1ccccc1.
What is the InChIKey of 2-prop-2-enoyloxyethyl 4-phenylbutanoate?
The InChIKey is PWTLVJUQHIFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-14(16)18-11-12-19-15(17)10-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2.
What are the key properties of 2-prop-2-enoyloxyethyl 4-phenylbutanoate?
2-prop-2-enoyloxyethyl 4-phenylbutanoate has a molecular weight of 262.31 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 4-phenylbutanoate is sourced from PubChem (CID 66685598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).