3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate

C24H22O6S — CID 155241809

IUPAC3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(SC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C24H22O6S/c1-3-22(25)29-17-5-16-28-19-11-13-21(14-12-19)31-24(27)15-8-18-6-9-20(10-7-18)30-23(26)4-2/h3-4,6-15H,1-2,5,16-17H2/b15-8+
InChIKeyYNANEMSQZNGUMP-OVCLIPMQSA-N
MW438.50 g/mol
LogP4.61
Rot. Bonds11

About 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate

3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate (PubChem CID 155241809) has the molecular formula C24H22O6S and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate
PubChem CID155241809
Molecular FormulaC24H22O6S
Molecular Weight438.50 g/mol
Exact Mass438.11
IUPAC Name3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(SC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C24H22O6S/c1-3-22(25)29-17-5-16-28-19-11-13-21(14-12-19)31-24(27)15-8-18-6-9-20(10-7-18)30-23(26)4-2/h3-4,6-15H,1-2,5,16-17H2/b15-8+
InChIKeyYNANEMSQZNGUMP-OVCLIPMQSA-N
XLogP4.61
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-[(E)-3-(3-methyl-4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenyl]phenoxy]propyl prop-2-enoate
CID 155241932
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
[5-[(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoyl]sulfanylfuran-2-yl] (E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoate
CID 58444485
4-[4-[3-[3-methoxy-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]sulfanyl-3-oxoprop-1-enyl]phenoxy]butyl prop-2-enoate
CID 123840228
(E)-3-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 11568339
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108
4-[4-[4-[4-(4-prop-2-enoyloxyphenyl)buta-1,3-diynyl]benzoyl]sulfanylphenoxy]butyl prop-2-enoate
CID 155241729
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
4-[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethoxy)phenoxy]prop-1-enyl]phenoxy]butyl 2-(hydroxymethyl)prop-2-enoate
CID 147423607
(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
CID 59668527
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate (CID 155241809) is 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(SC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.
What is the InChIKey of 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate?
The InChIKey is YNANEMSQZNGUMP-OVCLIPMQSA-N. The full InChI is InChI=1S/C24H22O6S/c1-3-22(25)29-17-5-16-28-19-11-13-21(14-12-19)31-24(27)15-8-18-6-9-20(10-7-18)30-23(26)4-2/h3-4,6-15H,1-2,5,16-17H2/b15-8+.
What are the key properties of 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate?
3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate has a molecular weight of 438.50 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate is sourced from PubChem (CID 155241809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).