4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol

C20H18O3S — CID 24792635

IUPAC4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol
SMILESCOc1ccc(-c2sc3ccc(OC)cc3c2C#CCCO)cc1
InChIInChI=1S/C20H18O3S/c1-22-15-8-6-14(7-9-15)20-17(5-3-4-12-21)18-13-16(23-2)10-11-19(18)24-20/h6-11,13,21H,4,12H2,1-2H3
InChIKeyRWPDDTLRNBSJJI-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.32
Rot. Bonds4

About 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol

4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol (PubChem CID 24792635) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol
PubChem CID24792635
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol
SMILESCOc1ccc(-c2sc3ccc(OC)cc3c2C#CCCO)cc1
InChIInChI=1S/C20H18O3S/c1-22-15-8-6-14(7-9-15)20-17(5-3-4-12-21)18-13-16(23-2)10-11-19(18)24-20/h6-11,13,21H,4,12H2,1-2H3
InChIKeyRWPDDTLRNBSJJI-UHFFFAOYSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol 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

6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
CID 850941
4-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]phenol
CID 25058310
ISUPSL-CHO-2-188b
CID 24792630
3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
CID 24818799
2-[1-Diethoxyphosphoryl-2-(3-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene
CID 24948417
3-[5-Methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-yl]prop-2-yn-1-ol
CID 25058314
3-[2-(4-Mesylphenyl)-5-methoxy-benzothiophen-3-yl]prop-2-yn-1-ol
CID 25058324
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 25131859
Isupsl-cho-4-396A
CID 44142398
3-[6-(4-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]prop-2-yn-1-ol
CID 44142403
4-[5-Methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenol
CID 44142468
Isupsl-cho-5-439A
CID 44142470

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol (CID 24792635) is 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol is COc1ccc(-c2sc3ccc(OC)cc3c2C#CCCO)cc1.
What is the InChIKey of 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol?
The InChIKey is RWPDDTLRNBSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-22-15-8-6-14(7-9-15)20-17(5-3-4-12-21)18-13-16(23-2)10-11-19(18)24-20/h6-11,13,21H,4,12H2,1-2H3.
What are the key properties of 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol?
4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol has a molecular weight of 338.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 24792635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).