thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone

C14H14O4S — CID 93191545

IUPACthiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H14O4S/c1-16-9-7-10(17-2)13(11(8-9)18-3)14(15)12-5-4-6-19-12/h4-8H,1-3H3
InChIKeyKHPPIKHLUPNGAB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.00
Rot. Bonds5

About thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone

thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 93191545) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namethiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID93191545
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namethiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H14O4S/c1-16-9-7-10(17-2)13(11(8-9)18-3)14(15)12-5-4-6-19-12/h4-8H,1-3H3
InChIKeyKHPPIKHLUPNGAB-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl) thiophene-2-carboxylate
CID 59558858
2,3-dimethoxythiophene;dithiophen-2-ylmethanone
CID 21434714
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
CID 57091683
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102190
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
CID 7236348
1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1496159
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
[3,5-dimethoxy-2-(3-thiophen-2-ylprop-2-enoyl)phenyl] dihydrogen phosphate
CID 54276573

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone (CID 93191545) is thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)c2cccs2)c(OC)c1.
What is the InChIKey of thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is KHPPIKHLUPNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-16-9-7-10(17-2)13(11(8-9)18-3)14(15)12-5-4-6-19-12/h4-8H,1-3H3.
What are the key properties of thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone?
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 278.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 93191545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).