4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate

C20H26O7 — CID 121338867

IUPAC4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(O)cc1OCCCCOC(=O)C=C
InChIInChI=1S/C20H26O7/c1-3-19(22)26-13-7-5-11-24-17-10-9-16(21)15-18(17)25-12-6-8-14-27-20(23)4-2/h3-4,9-10,15,21H,1-2,5-8,11-14H2
InChIKeyNBCCNCMIZDQMTA-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.17
Rot. Bonds14

About 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate

4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate (PubChem CID 121338867) has the molecular formula C20H26O7 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
PubChem CID121338867
Molecular FormulaC20H26O7
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(O)cc1OCCCCOC(=O)C=C
InChIInChI=1S/C20H26O7/c1-3-19(22)26-13-7-5-11-24-17-10-9-16(21)15-18(17)25-12-6-8-14-27-20(23)4-2/h3-4,9-10,15,21H,1-2,5-8,11-14H2
InChIKeyNBCCNCMIZDQMTA-UHFFFAOYSA-N
XLogP3.17
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
4-(2,5-diaminophenoxy)butyl prop-2-enoate
CID 142701186
3-[3,6,11-tripentoxy-7,10-bis(3-prop-2-enoyloxypropoxy)triphenylen-2-yl]oxypropyl prop-2-enoate
CID 18931805
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
2-[1-[3-butoxy-4-[2-(4-hydroxy-2-methoxyphenyl)ethoxy]phenyl]ethoxy]ethyl prop-2-enoate
CID 140552180
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
3,4,5-tris(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 90240498
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-[3,4-bis(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 59734899
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
4-(4-amino-2-methylphenoxy)butyl prop-2-enoate;aniline;benzene-1,4-diamine
CID 142183864

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate?
The IUPAC name of 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate (CID 121338867) is 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate.
What is the SMILES notation for 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate?
The canonical SMILES for 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc(O)cc1OCCCCOC(=O)C=C.
What is the InChIKey of 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate?
The InChIKey is NBCCNCMIZDQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O7/c1-3-19(22)26-13-7-5-11-24-17-10-9-16(21)15-18(17)25-12-6-8-14-27-20(23)4-2/h3-4,9-10,15,21H,1-2,5-8,11-14H2.
What are the key properties of 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate?
4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate has a molecular weight of 378.42 g/mol, XLogP of 3.17, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate is sourced from PubChem (CID 121338867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).