(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H18O4S — CID 53364124

IUPAC(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H18O4S/c1-22-16-9-14(10-17(23-2)20(16)24-3)19(21)15-11-18(25-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRCMUDRGNWXWSMH-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.67
Rot. Bonds6

About (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53364124) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53364124
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H18O4S/c1-22-16-9-14(10-17(23-2)20(16)24-3)19(21)15-11-18(25-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRCMUDRGNWXWSMH-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)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-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 53364124) is (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RCMUDRGNWXWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-22-16-9-14(10-17(23-2)20(16)24-3)19(21)15-11-18(25-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 354.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53364124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).