methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate

C19H16O4S — CID 118574949

IUPACmethyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1Oc1csc2cc(OC)ccc12
InChIInChI=1S/C19H16O4S/c1-21-14-8-9-15-17(12-24-18(15)11-14)23-16-6-4-3-5-13(16)7-10-19(20)22-2/h3-12H,1-2H3/b10-7+
InChIKeyZLYOKAXAUSRZHR-JXMROGBWSA-N
MW340.40 g/mol
LogP4.89
Rot. Bonds5

About methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate

methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate (PubChem CID 118574949) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate
PubChem CID118574949
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Namemethyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1Oc1csc2cc(OC)ccc12
InChIInChI=1S/C19H16O4S/c1-21-14-8-9-15-17(12-24-18(15)11-14)23-16-6-4-3-5-13(16)7-10-19(20)22-2/h3-12H,1-2H3/b10-7+
InChIKeyZLYOKAXAUSRZHR-JXMROGBWSA-N
XLogP4.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]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

methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
methyl (E)-3-(2-benzoyl-4-methoxyphenyl)prop-2-enoate
CID 122392377
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3457464
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
CID 140551592
methyl (E)-3-[2-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 71604823
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate (CID 118574949) is methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccccc1Oc1csc2cc(OC)ccc12.
What is the InChIKey of methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate?
The InChIKey is ZLYOKAXAUSRZHR-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16O4S/c1-21-14-8-9-15-17(12-24-18(15)11-14)23-16-6-4-3-5-13(16)7-10-19(20)22-2/h3-12H,1-2H3/b10-7+.
What are the key properties of methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate?
methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate has a molecular weight of 340.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 118574949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).