[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate

C23H20O6 — CID 126633239

IUPAC[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2cc(OC(=O)C=C)cc(OC(=O)C=C)c2)cc1
InChIInChI=1S/C23H20O6/c1-4-21(24)27-18-11-9-16(10-12-18)7-8-17-13-19(28-22(25)5-2)15-20(14-17)29-23(26)6-3/h4-6,9-15H,1-3,7-8H2
InChIKeyMQJWAQBNFLHQPY-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.75
Rot. Bonds9

About [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate

[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate (PubChem CID 126633239) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
PubChem CID126633239
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CCc2cc(OC(=O)C=C)cc(OC(=O)C=C)c2)cc1
InChIInChI=1S/C23H20O6/c1-4-21(24)27-18-11-9-16(10-12-18)7-8-17-13-19(28-22(25)5-2)15-20(14-17)29-23(26)6-3/h4-6,9-15H,1-3,7-8H2
InChIKeyMQJWAQBNFLHQPY-UHFFFAOYSA-N
XLogP3.75
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl] but-2-enoate
CID 174951659
[4-[2-[3-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] prop-2-enoate
CID 121370026
(4-butylphenyl) prop-2-enoate
CID 23635599
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
[4-[2-[2-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309005

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate (CID 126633239) is [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(CCc2cc(OC(=O)C=C)cc(OC(=O)C=C)c2)cc1.
What is the InChIKey of [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate?
The InChIKey is MQJWAQBNFLHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-4-21(24)27-18-11-9-16(10-12-18)7-8-17-13-19(28-22(25)5-2)15-20(14-17)29-23(26)6-3/h4-6,9-15H,1-3,7-8H2.
What are the key properties of [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate?
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate has a molecular weight of 392.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate is sourced from PubChem (CID 126633239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).