2-(2-phenylethylsulfonyl)ethyl prop-2-enoate

C13H16O4S — CID 171762741

IUPAC2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H16O4S/c1-2-13(14)17-9-11-18(15,16)10-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKeyRZFZXERIZBGLHX-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.37
Rot. Bonds7

About 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate

2-(2-phenylethylsulfonyl)ethyl prop-2-enoate (PubChem CID 171762741) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
PubChem CID171762741
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H16O4S/c1-2-13(14)17-9-11-18(15,16)10-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKeyRZFZXERIZBGLHX-UHFFFAOYSA-N
XLogP1.37
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
3-benzhydrylsulfonylpropyl prop-2-enoate
CID 175221844
prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
CID 159399182

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate (CID 171762741) is 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate is C=CC(=O)OCCS(=O)(=O)CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate?
The InChIKey is RZFZXERIZBGLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c1-2-13(14)17-9-11-18(15,16)10-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2.
What are the key properties of 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate?
2-(2-phenylethylsulfonyl)ethyl prop-2-enoate has a molecular weight of 268.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfonyl)ethyl prop-2-enoate is sourced from PubChem (CID 171762741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).