(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H16O4S2 — CID 44576937

IUPAC(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccsc3)s2)cc(OC)c1OC
InChIInChI=1S/C18H16O4S2/c1-20-13-8-12(9-14(21-2)18(13)22-3)17(19)16-5-4-15(24-16)11-6-7-23-10-11/h4-10H,1-3H3
InChIKeyLSSPVRZHYQZRTG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.73
Rot. Bonds6

About (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44576937) has the molecular formula C18H16O4S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44576937
Molecular FormulaC18H16O4S2
Molecular Weight360.46 g/mol
Exact Mass360.05
IUPAC Name(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccsc3)s2)cc(OC)c1OC
InChIInChI=1S/C18H16O4S2/c1-20-13-8-12(9-14(21-2)18(13)22-3)17(19)16-5-4-15(24-16)11-6-7-23-10-11/h4-10H,1-3H3
InChIKeyLSSPVRZHYQZRTG-UHFFFAOYSA-N
XLogP4.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 44576937) is (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(-c3ccsc3)s2)cc(OC)c1OC.
What is the InChIKey of (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LSSPVRZHYQZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4S2/c1-20-13-8-12(9-14(21-2)18(13)22-3)17(19)16-5-4-15(24-16)11-6-7-23-10-11/h4-10H,1-3H3.
What are the key properties of (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44576937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).