methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate

C13H16O3 — CID 139242095

IUPACmethyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
SMILESCOC(=O)C(C)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H16O3/c1-10(13(14)16-3)4-5-11-6-8-12(15-2)9-7-11/h4-10H,1-3H3/b5-4+
InChIKeyVVEJKWMWJSMNHV-SNAWJCMRSA-N
MW220.27 g/mol
LogP2.52
Rot. Bonds4

About methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate

methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate (PubChem CID 139242095) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
PubChem CID139242095
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
SMILESCOC(=O)C(C)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H16O3/c1-10(13(14)16-3)4-5-11-6-8-12(15-2)9-7-11/h4-10H,1-3H3/b5-4+
InChIKeyVVEJKWMWJSMNHV-SNAWJCMRSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-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

methyl (E,2S)-2-methyl-4-naphthalen-2-ylbut-3-enoate
CID 164682787
dimethyl 2-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]propanedioate
CID 101374633
(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
CID 105460059
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
phenyl (E)-2-methyl-4-phenylbut-3-enoate
CID 11482156

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate?
The IUPAC name of methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate (CID 139242095) is methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate.
What is the SMILES notation for methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate?
The canonical SMILES for methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate is COC(=O)C(C)/C=C/c1ccc(OC)cc1.
What is the InChIKey of methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate?
The InChIKey is VVEJKWMWJSMNHV-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(13(14)16-3)4-5-11-6-8-12(15-2)9-7-11/h4-10H,1-3H3/b5-4+.
What are the key properties of methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate?
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate is sourced from PubChem (CID 139242095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).