(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone

C17H14O3S — CID 118714409

IUPAC(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(OC)ccc3s2)c1
InChIInChI=1S/C17H14O3S/c1-19-13-5-3-4-11(8-13)17(18)16-10-12-9-14(20-2)6-7-15(12)21-16/h3-10H,1-2H3
InChIKeyUBAINUHIMOKVTH-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.15
Rot. Bonds4

About (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone

(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 118714409) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone
PubChem CID118714409
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(OC)ccc3s2)c1
InChIInChI=1S/C17H14O3S/c1-19-13-5-3-4-11(8-13)17(18)16-10-12-9-14(20-2)6-7-15(12)21-16/h3-10H,1-2H3
InChIKeyUBAINUHIMOKVTH-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone 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 (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone (CID 118714409) is (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc3cc(OC)ccc3s2)c1.
What is the InChIKey of (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is UBAINUHIMOKVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S/c1-19-13-5-3-4-11(8-13)17(18)16-10-12-9-14(20-2)6-7-15(12)21-16/h3-10H,1-2H3.
What are the key properties of (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone?
(5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone has a molecular weight of 298.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzothiophen-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 118714409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).