4-(4-hydroxyphenoxy)butyl prop-2-enoate

C13H16O4 — CID 20566713

IUPAC4-(4-hydroxyphenoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(O)cc1
InChIInChI=1S/C13H16O4/c1-2-13(15)17-10-4-3-9-16-12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2
InChIKeyXOWIVSDDXVFPAW-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.28
Rot. Bonds7

About 4-(4-hydroxyphenoxy)butyl prop-2-enoate

4-(4-hydroxyphenoxy)butyl prop-2-enoate (PubChem CID 20566713) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)butyl prop-2-enoate
PubChem CID20566713
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(4-hydroxyphenoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(O)cc1
InChIInChI=1S/C13H16O4/c1-2-13(15)17-10-4-3-9-16-12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2
InChIKeyXOWIVSDDXVFPAW-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
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

3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
[4-[2-[4-(6-prop-2-enoyloxyhexoxy)phenyl]ethyl]phenyl] 4-hydroxybenzoate
CID 90048613
4-(4-prop-1-ynylphenoxy)butyl prop-2-enoate
CID 59700398
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717
2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 67066904
4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
CID 121338867
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)butyl prop-2-enoate?
The IUPAC name of 4-(4-hydroxyphenoxy)butyl prop-2-enoate (CID 20566713) is 4-(4-hydroxyphenoxy)butyl prop-2-enoate.
What is the SMILES notation for 4-(4-hydroxyphenoxy)butyl prop-2-enoate?
The canonical SMILES for 4-(4-hydroxyphenoxy)butyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenoxy)butyl prop-2-enoate?
The InChIKey is XOWIVSDDXVFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-13(15)17-10-4-3-9-16-12-7-5-11(14)6-8-12/h2,5-8,14H,1,3-4,9-10H2.
What are the key properties of 4-(4-hydroxyphenoxy)butyl prop-2-enoate?
4-(4-hydroxyphenoxy)butyl prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)butyl prop-2-enoate is sourced from PubChem (CID 20566713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).