[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H20O5S — CID 44576999

IUPAC[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccccc1-c1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C21H20O5S/c1-23-15-8-6-5-7-14(15)18-9-10-19(27-18)20(22)13-11-16(24-2)21(26-4)17(12-13)25-3/h5-12H,1-4H3
InChIKeyOROBWVWNGHIFAT-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.68
Rot. Bonds7

About [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44576999) has the molecular formula C21H20O5S and a molecular weight of 384.45 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44576999
Molecular FormulaC21H20O5S
Molecular Weight384.45 g/mol
Exact Mass384.10
IUPAC Name[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccccc1-c1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C21H20O5S/c1-23-15-8-6-5-7-14(15)18-9-10-19(27-18)20(22)13-11-16(24-2)21(26-4)17(12-13)25-3/h5-12H,1-4H3
InChIKeyOROBWVWNGHIFAT-UHFFFAOYSA-N
XLogP4.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 44576999) is [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccccc1-c1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OROBWVWNGHIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5S/c1-23-15-8-6-5-7-14(15)18-9-10-19(27-18)20(22)13-11-16(24-2)21(26-4)17(12-13)25-3/h5-12H,1-4H3.
What are the key properties of [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 384.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44576999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).