methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate

C14H18O5 — CID 73071521

IUPACmethyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
SMILESCOC(=O)C(C)=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-9(14(15)19-5)8-10-6-7-11(16-2)13(18-4)12(10)17-3/h6-8H,1-5H3
InChIKeyAOVLRMUVBYNZDI-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate

methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate (PubChem CID 73071521) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
PubChem CID73071521
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
SMILESCOC(=O)C(C)=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-9(14(15)19-5)8-10-6-7-11(16-2)13(18-4)12(10)17-3/h6-8H,1-5H3
InChIKeyAOVLRMUVBYNZDI-UHFFFAOYSA-N
XLogP2.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate
CID 11687938
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
1-[2-(bromomethyl)but-1-enyl]-2,3,4-trimethoxybenzene
CID 79324290
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
CID 79343823
(E)-2-formyl-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 88796286
(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 102471104
2-bromo-1-[3-(dimethylamino)-4-methoxyphenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 91265827
2-(4-methylphenoxy)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 139651180
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate?
The IUPAC name of methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate (CID 73071521) is methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate is COC(=O)C(C)=Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate?
The InChIKey is AOVLRMUVBYNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-9(14(15)19-5)8-10-6-7-11(16-2)13(18-4)12(10)17-3/h6-8H,1-5H3.
What are the key properties of methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate?
methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 73071521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).