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

C24H18O7 — CID 123382441

IUPAC[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(=O)C=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1
InChIInChI=1S/C24H18O7/c1-4-22(26)29-18-11-9-17(10-12-18)19(25)13-7-16-8-14-20(30-23(27)5-2)21(15-16)31-24(28)6-3/h4-15H,1-3H2
InChIKeyYJGQEGUWMJUPFK-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.86
Rot. Bonds9

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

[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate (PubChem CID 123382441) has the molecular formula C24H18O7 and a molecular weight of 418.40 g/mol. Its IUPAC name is [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
PubChem CID123382441
Molecular FormulaC24H18O7
Molecular Weight418.40 g/mol
Exact Mass418.11
IUPAC Name[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(=O)C=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1
InChIInChI=1S/C24H18O7/c1-4-22(26)29-18-11-9-17(10-12-18)19(25)13-7-16-8-14-20(30-23(27)5-2)21(15-16)31-24(28)6-3/h4-15H,1-3H2
InChIKeyYJGQEGUWMJUPFK-UHFFFAOYSA-N
XLogP3.86
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
CID 123414988
[4-(4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoyl)oxyphenyl] 4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoate
CID 122424902
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
[3-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
CID 123868108
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2,6-dimethoxybenzoate
CID 6124819
4-O-methyl 1-O-[4-[(E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoyl]phenyl] 2-methylidenebutanedioate
CID 154625041
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6267532
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-methoxybenzoate
CID 6267354
[3-acetyloxy-4-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]phenyl] acetate
CID 15927207
1-(4-acetylphenyl)-3-[4-(1,2,2-trifluoroethenoxy)phenyl]prop-2-en-1-one
CID 57234047

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate (CID 123382441) is [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(=O)C=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1.
What is the InChIKey of [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate?
The InChIKey is YJGQEGUWMJUPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O7/c1-4-22(26)29-18-11-9-17(10-12-18)19(25)13-7-16-8-14-20(30-23(27)5-2)21(15-16)31-24(28)6-3/h4-15H,1-3H2.
What are the key properties of [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate?
[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate has a molecular weight of 418.40 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate is sourced from PubChem (CID 123382441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).