3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate

C19H24O6 — CID 67394118

IUPAC3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c(C)c1
InChIInChI=1S/C19H24O6/c1-4-18(20)24-12-6-10-22-16-8-9-17(15(3)14-16)23-11-7-13-25-19(21)5-2/h4-5,8-9,14H,1-2,6-7,10-13H2,3H3
InChIKeyTVZPSRYVXNCFSG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.99
Rot. Bonds12

About 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate

3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate (PubChem CID 67394118) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
PubChem CID67394118
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c(C)c1
InChIInChI=1S/C19H24O6/c1-4-18(20)24-12-6-10-22-16-8-9-17(15(3)14-16)23-11-7-13-25-19(21)5-2/h4-5,8-9,14H,1-2,6-7,10-13H2,3H3
InChIKeyTVZPSRYVXNCFSG-UHFFFAOYSA-N
XLogP2.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethane;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 145125314
4-(3-fluoro-4-methylphenoxy)butyl prop-2-enoate
CID 59747405
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
[2-methyl-4-[1-[4-(3-prop-2-enoyloxypropoxy)phenyl]ethenoxy]phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 144875477
[3-methyl-4-[3-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 3-(6-prop-2-enoyloxyhexoxy)benzoate
CID 122390183
4-(4-amino-2-methylphenoxy)butyl prop-2-enoate;aniline;benzene-1,4-diamine
CID 142183864
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
[3-methyl-4-[[4-(3-prop-2-enoyloxypropoxy)phenoxy]methoxy]phenyl] 4-(3-ethenylperoxypropoxy)benzoate
CID 59755195
[4-(4-prop-2-enoyloxybutoxy)phenyl] 3-methyl-4-[4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxybenzoyl]oxybenzoate
CID 169077993
[2-methyl-4-[(4-octoxyphenoxy)methoxy]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 170546208
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
[2-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-hydroxybenzoate
CID 142223934

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate (CID 67394118) is 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c(C)c1.
What is the InChIKey of 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?
The InChIKey is TVZPSRYVXNCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-4-18(20)24-12-6-10-22-16-8-9-17(15(3)14-16)23-11-7-13-25-19(21)5-2/h4-5,8-9,14H,1-2,6-7,10-13H2,3H3.
What are the key properties of 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate?
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate has a molecular weight of 348.40 g/mol, XLogP of 2.99, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 67394118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).