methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate

C12H14O4 — CID 116843206

IUPACmethyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C12H14O4/c1-8(12(13)16-4)10-6-5-9(14-2)7-11(10)15-3/h5-7H,1H2,2-4H3
InChIKeyJHRMNDGJIJXJGW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate

methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 116843206) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID116843206
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C12H14O4/c1-8(12(13)16-4)10-6-5-9(14-2)7-11(10)15-3/h5-7H,1H2,2-4H3
InChIKeyJHRMNDGJIJXJGW-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(2,4-dimethoxyphenyl)prop-2-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

2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoate
CID 6947027
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
2-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 82075391
tert-butyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 102421540
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate (CID 116843206) is methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate is C=C(C(=O)OC)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is JHRMNDGJIJXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(12(13)16-4)10-6-5-9(14-2)7-11(10)15-3/h5-7H,1H2,2-4H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate?
methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 116843206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).