(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

C18H14O2S — CID 45104130

IUPAC(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C18H14O2S/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-12H,1H3/b11-8+
InChIKeyHQGUYIQISKVWJF-DHZHZOJOSA-N
MW294.38 g/mol
LogP4.81
Rot. Bonds4

About (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 45104130) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID45104130
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C18H14O2S/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-12H,1H3/b11-8+
InChIKeyHQGUYIQISKVWJF-DHZHZOJOSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one 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-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
(E)-3-(1-benzothiophen-5-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732204
(E)-3-(1-benzothiophen-3-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732205
(Z)-3-(4-methoxybenzylidene)thiochroman-4-one
CID 6364803
4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
CID 100774
2-(4-Methoxyphenyl)-3-(4-methoxybenzoyl)benzothiophene
CID 10667130
2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 44543407
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980
Ethyl 3-methyl-6-phenoxy-1-benzothiophene-2-carboxylate
CID 132022548
Ethyl 6-methoxybenzo[b]thiophene-2-carboxylate
CID 11831419
(E)-3-(1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118732208
(E)-3-(1-benzothiophen-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 118732209

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 45104130) is (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is HQGUYIQISKVWJF-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H14O2S/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-12H,1H3/b11-8+.
What are the key properties of (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 294.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 45104130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).