methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate

C23H28O4 — CID 67797294

IUPACmethyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1OCCCC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C23H28O4/c1-25-21-15-12-19(13-16-21)9-5-3-4-8-18-27-22-11-7-6-10-20(22)14-17-23(24)26-2/h5-7,9-13,15-16H,3-4,8,14,17-18H2,1-2H3/b9-5+
InChIKeyRGZBMGYGMJYTGL-WEVVVXLNSA-N
MW368.47 g/mol
LogP5.06
Rot. Bonds11

About methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate

methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate (PubChem CID 67797294) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
PubChem CID67797294
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Namemethyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1OCCCC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C23H28O4/c1-25-21-15-12-19(13-16-21)9-5-3-4-8-18-27-22-11-7-6-10-20(22)14-17-23(24)26-2/h5-7,9-13,15-16H,3-4,8,14,17-18H2,1-2H3/b9-5+
InChIKeyRGZBMGYGMJYTGL-WEVVVXLNSA-N
XLogP5.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate 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

methyl 3-[6-iodo-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridinyl]propanoate
CID 86750763
methyl 5-[6-(3-methoxy-3-oxopropyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridinyl]pentanoate
CID 67703760
tert-butyl 3-[5-amino-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
CID 19598037
3-[5-acetamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598031
3-[2-[6-(dimethylamino)-6-oxohexyl]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598025
3-[5-(4-hydroxybutanoylamino)-2-[6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 54119134
3-[5-[4-(dimethylamino)-4-oxobutoxy]-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598069
3-[2-[bis(methylsulfonyl)amino]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598038
3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-5-[(4-methylphenyl)sulfonylamino]phenyl]propanoic acid
CID 15435855
3-[2-[6-(dimethylamino)-6-oxohexanoyl]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598040
3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]propanoic acid
CID 19911630
4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-8-phenylmethoxynaphthalene-2-carboxylic acid
CID 20597928

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate (CID 67797294) is methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate is COC(=O)CCc1ccccc1OCCCC/C=C/c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate?
The InChIKey is RGZBMGYGMJYTGL-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H28O4/c1-25-21-15-12-19(13-16-21)9-5-3-4-8-18-27-22-11-7-6-10-20(22)14-17-23(24)26-2/h5-7,9-13,15-16H,3-4,8,14,17-18H2,1-2H3/b9-5+.
What are the key properties of methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate?
methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate has a molecular weight of 368.47 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate is sourced from PubChem (CID 67797294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).