methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate

C22H24O6 — CID 7726665

IUPACmethyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C22H24O6/c1-15(2)28-19-11-7-16(13-20(19)25-3)8-12-21(23)27-14-17-5-9-18(10-6-17)22(24)26-4/h5-13,15H,14H2,1-4H3/b12-8+
InChIKeyABDJNVKNLGDJBE-XYOKQWHBSA-N
MW384.43 g/mol
LogP4.03
Rot. Bonds8

About methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate

methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate (PubChem CID 7726665) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate
PubChem CID7726665
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Namemethyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C22H24O6/c1-15(2)28-19-11-7-16(13-20(19)25-3)8-12-21(23)27-14-17-5-9-18(10-6-17)22(24)26-4/h5-13,15H,14H2,1-4H3/b12-8+
InChIKeyABDJNVKNLGDJBE-XYOKQWHBSA-N
XLogP4.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate with MolForge

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Related Compounds

methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726363
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726693
methyl 4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyloxymethyl]benzoate
CID 3503930
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726830
(4-propylphenyl) (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 19207775
3-pyridin-4-ylpropyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 78772166
methyl 4-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]benzoate
CID 7549752
methyl 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxymethyl]benzoate
CID 2367094
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate (CID 7726665) is methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate?
The InChIKey is ABDJNVKNLGDJBE-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H24O6/c1-15(2)28-19-11-7-16(13-20(19)25-3)8-12-21(23)27-14-17-5-9-18(10-6-17)22(24)26-4/h5-13,15H,14H2,1-4H3/b12-8+.
What are the key properties of methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate?
methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate has a molecular weight of 384.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate is sourced from PubChem (CID 7726665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).