methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate

C25H24O4 — CID 10293637

IUPACmethyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC/C=C(\C)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-19(16-17-28-22-12-8-20(9-13-22)18-25(26)27-2)21-10-14-24(15-11-21)29-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b19-16+
InChIKeyBALHWYJTFQLDSV-KNTRCKAVSA-N
MW388.46 g/mol
LogP5.68
Rot. Bonds8

About methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate

methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate (PubChem CID 10293637) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate
PubChem CID10293637
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Namemethyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC/C=C(\C)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-19(16-17-28-22-12-8-20(9-13-22)18-25(26)27-2)21-10-14-24(15-11-21)29-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b19-16+
InChIKeyBALHWYJTFQLDSV-KNTRCKAVSA-N
XLogP5.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate (CID 10293637) is methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate is COC(=O)Cc1ccc(OC/C=C(\C)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate?
The InChIKey is BALHWYJTFQLDSV-KNTRCKAVSA-N. The full InChI is InChI=1S/C25H24O4/c1-19(16-17-28-22-12-8-20(9-13-22)18-25(26)27-2)21-10-14-24(15-11-21)29-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b19-16+.
What are the key properties of methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate?
methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate has a molecular weight of 388.46 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]acetate is sourced from PubChem (CID 10293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).