methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate

C14H14O3S — CID 54316426

IUPACmethyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate
SMILESCOC=C(C(=O)OC)c1csc2c(C)cccc12
InChIInChI=1S/C14H14O3S/c1-9-5-4-6-10-12(8-18-13(9)10)11(7-16-2)14(15)17-3/h4-8H,1-3H3
InChIKeySONAEKYYOUSRIS-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.37
Rot. Bonds3

About methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate

methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate (PubChem CID 54316426) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate
PubChem CID54316426
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Namemethyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate
SMILESCOC=C(C(=O)OC)c1csc2c(C)cccc12
InChIInChI=1S/C14H14O3S/c1-9-5-4-6-10-12(8-18-13(9)10)11(7-16-2)14(15)17-3/h4-8H,1-3H3
InChIKeySONAEKYYOUSRIS-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)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

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate (CID 54316426) is methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate is COC=C(C(=O)OC)c1csc2c(C)cccc12.
What is the InChIKey of methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate?
The InChIKey is SONAEKYYOUSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-5-4-6-10-12(8-18-13(9)10)11(7-16-2)14(15)17-3/h4-8H,1-3H3.
What are the key properties of methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate?
methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate has a molecular weight of 262.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate is sourced from PubChem (CID 54316426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).