(4-methylsulfonylphenyl) prop-2-enoate

C10H10O4S — CID 89374754

IUPAC(4-methylsulfonylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H10O4S/c1-3-10(11)14-8-4-6-9(7-5-8)15(2,12)13/h3-7H,1H2,2H3
InChIKeyLYUGJFDUZUDUSR-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.18
Rot. Bonds3

About (4-methylsulfonylphenyl) prop-2-enoate

(4-methylsulfonylphenyl) prop-2-enoate (PubChem CID 89374754) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is (4-methylsulfonylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(4-methylsulfonylphenyl) prop-2-enoate
PubChem CID89374754
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name(4-methylsulfonylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H10O4S/c1-3-10(11)14-8-4-6-9(7-5-8)15(2,12)13/h3-7H,1H2,2H3
InChIKeyLYUGJFDUZUDUSR-UHFFFAOYSA-N
XLogP1.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylsulfonylphenyl) carbonate
CID 139898896
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(4-bromophenyl) 4-methylsulfonylbenzoate
CID 26096451
(4-propanoylphenyl) prop-2-enoate
CID 86070287
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-methylbenzene;1-methyl-4-(4-methylsulfonylphenyl)benzene
CID 143535110
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556
(4-prop-2-enoyloxyphenyl)phosphonic acid
CID 69294557

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl) prop-2-enoate?
The IUPAC name of (4-methylsulfonylphenyl) prop-2-enoate (CID 89374754) is (4-methylsulfonylphenyl) prop-2-enoate.
What is the SMILES notation for (4-methylsulfonylphenyl) prop-2-enoate?
The canonical SMILES for (4-methylsulfonylphenyl) prop-2-enoate is C=CC(=O)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4-methylsulfonylphenyl) prop-2-enoate?
The InChIKey is LYUGJFDUZUDUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-3-10(11)14-8-4-6-9(7-5-8)15(2,12)13/h3-7H,1H2,2H3.
What are the key properties of (4-methylsulfonylphenyl) prop-2-enoate?
(4-methylsulfonylphenyl) prop-2-enoate has a molecular weight of 226.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl) prop-2-enoate is sourced from PubChem (CID 89374754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).