dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate

C24H26O5 — CID 101398643

IUPACdimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
SMILESCOC(=O)C(C/C=C/c1ccccc1)(C/C=C/c1ccccc1OC)C(=O)OC
InChIInChI=1S/C24H26O5/c1-27-21-16-8-7-14-20(21)15-10-18-24(22(25)28-2,23(26)29-3)17-9-13-19-11-5-4-6-12-19/h4-16H,17-18H2,1-3H3/b13-9+,15-10+
InChIKeyBAWSMZOFJKQUHR-XHWVFBAXSA-N
MW394.47 g/mol
LogP4.53
Rot. Bonds9

About dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate

dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate (PubChem CID 101398643) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
PubChem CID101398643
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Namedimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
SMILESCOC(=O)C(C/C=C/c1ccccc1)(C/C=C/c1ccccc1OC)C(=O)OC
InChIInChI=1S/C24H26O5/c1-27-21-16-8-7-14-20(21)15-10-18-24(22(25)28-2,23(26)29-3)17-9-13-19-11-5-4-6-12-19/h4-16H,17-18H2,1-3H3/b13-9+,15-10+
InChIKeyBAWSMZOFJKQUHR-XHWVFBAXSA-N
XLogP4.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-(2-bromoprop-2-enyl)-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 134887314
tetramethyl (1E,6E,13E)-1,14-diphenyltetradeca-1,6,13-trien-8-yne-3,3,10,10-tetracarboxylate
CID 102046698
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate (CID 101398643) is dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate is COC(=O)C(C/C=C/c1ccccc1)(C/C=C/c1ccccc1OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate?
The InChIKey is BAWSMZOFJKQUHR-XHWVFBAXSA-N. The full InChI is InChI=1S/C24H26O5/c1-27-21-16-8-7-14-20(21)15-10-18-24(22(25)28-2,23(26)29-3)17-9-13-19-11-5-4-6-12-19/h4-16H,17-18H2,1-3H3/b13-9+,15-10+.
What are the key properties of dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate?
dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate has a molecular weight of 394.47 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate is sourced from PubChem (CID 101398643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).