4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate

C24H22O6 — CID 5113782

IUPAC4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC#CCOC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22O6/c1-27-21-11-5-19(6-12-21)9-15-23(25)29-17-3-4-18-30-24(26)16-10-20-7-13-22(28-2)14-8-20/h5-16H,17-18H2,1-2H3
InChIKeyGKTMTBBCMQTGJR-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.52
Rot. Bonds8

About 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate

4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 5113782) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID5113782
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC#CCOC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22O6/c1-27-21-11-5-19(6-12-21)9-15-23(25)29-17-3-4-18-30-24(26)16-10-20-7-13-22(28-2)14-8-20/h5-16H,17-18H2,1-2H3
InChIKeyGKTMTBBCMQTGJR-UHFFFAOYSA-N
XLogP3.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144
[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 93483150
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate (CID 5113782) is 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)OCC#CCOC(=O)C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is GKTMTBBCMQTGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-27-21-11-5-19(6-12-21)9-15-23(25)29-17-3-4-18-30-24(26)16-10-20-7-13-22(28-2)14-8-20/h5-16H,17-18H2,1-2H3.
What are the key properties of 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate?
4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 406.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 5113782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).