methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate

C17H16O4S — CID 122400270

IUPACmethyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(c2cccs2)OC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H16O4S/c1-19-12-7-5-11(6-8-12)14-10-13(17(18)20-2)16(21-14)15-4-3-9-22-15/h3-9,14H,10H2,1-2H3
InChIKeyXPTMJIBSLPRULM-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 122400270) has the molecular formula C17H16O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID122400270
Molecular FormulaC17H16O4S
Molecular Weight316.38 g/mol
Exact Mass316.08
IUPAC Namemethyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(c2cccs2)OC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H16O4S/c1-19-12-7-5-11(6-8-12)14-10-13(17(18)20-2)16(21-14)15-4-3-9-22-15/h3-9,14H,10H2,1-2H3
InChIKeyXPTMJIBSLPRULM-UHFFFAOYSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
CID 13352399
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 16660422
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
methyl (3R)-2-methylidene-3-phenyl-5-thiophen-2-yl-3H-furan-4-carboxylate
CID 134842241
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
CID 17011461
2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
(5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42499385
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
CID 71347213
3-(4-methoxyphenyl)-N-methyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 3143569
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate (CID 122400270) is methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(c2cccs2)OC(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is XPTMJIBSLPRULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4S/c1-19-12-7-5-11(6-8-12)14-10-13(17(18)20-2)16(21-14)15-4-3-9-22-15/h3-9,14H,10H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 122400270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).