4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate

C13H16O5S — CID 19745504

IUPAC4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H16O5S/c1-2-13(15)18-9-3-4-10-19(16,17)12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2
InChIKeyROFQNHHAMZUHTA-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.68
Rot. Bonds7

About 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate

4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate (PubChem CID 19745504) has the molecular formula C13H16O5S and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
PubChem CID19745504
Molecular FormulaC13H16O5S
Molecular Weight284.33 g/mol
Exact Mass284.07
IUPAC Name4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCCS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H16O5S/c1-2-13(15)18-9-3-4-10-19(16,17)12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2
InChIKeyROFQNHHAMZUHTA-UHFFFAOYSA-N
XLogP1.68
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate
CID 54239095
8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate
CID 19745508
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
3-(4-hydroxy-3-propan-2-ylphenyl)sulfonylpropyl prop-2-enoate
CID 19745480
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
CID 121338867
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
[4-[4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoyl]oxyphenyl] 4-hydroxybenzoate
CID 58612768
[4-(6-prop-2-enoyloxyhexylsulfonyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 59281735

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate (CID 19745504) is 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate is C=CC(=O)OCCCCS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate?
The InChIKey is ROFQNHHAMZUHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5S/c1-2-13(15)18-9-3-4-10-19(16,17)12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2.
What are the key properties of 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate?
4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate has a molecular weight of 284.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate is sourced from PubChem (CID 19745504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).