3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate

C24H24O8 — CID 91404053

IUPAC3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC
InChIInChI=1S/C24H24O8/c1-16(25)31-21-11-8-19(15-23(21)32-17(2)26)9-12-24(27)30-13-5-6-18-7-10-20(28-3)22(14-18)29-4/h5-12,14-15H,13H2,1-4H3
InChIKeyPUECXWNPTGYJMV-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.82
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate

3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate (PubChem CID 91404053) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate
PubChem CID91404053
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC
InChIInChI=1S/C24H24O8/c1-16(25)31-21-11-8-19(15-23(21)32-17(2)26)9-12-24(27)30-13-5-6-18-7-10-20(28-3)22(14-18)29-4/h5-12,14-15H,13H2,1-4H3
InChIKeyPUECXWNPTGYJMV-UHFFFAOYSA-N
XLogP3.82
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate?
The IUPAC name of 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate (CID 91404053) is 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate is COc1ccc(C=CCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate?
The InChIKey is PUECXWNPTGYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c1-16(25)31-21-11-8-19(15-23(21)32-17(2)26)9-12-24(27)30-13-5-6-18-7-10-20(28-3)22(14-18)29-4/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate?
3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate has a molecular weight of 440.45 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate is sourced from PubChem (CID 91404053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).