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

C11H12O3 — CID 641297

IUPACmethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
InChIKeyVEZIKIAGFYZTCI-VMPITWQZSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds3

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

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 641297) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID641297
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
InChIKeyVEZIKIAGFYZTCI-VMPITWQZSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144
CID 158937132
CID 158937132
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 641297) is methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is VEZIKIAGFYZTCI-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+.
What are the key properties of methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).