benzyl 3-phenylthiophene-2-carboxylate

C18H14O2S — CID 175107738

IUPACbenzyl 3-phenylthiophene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H14O2S/c19-18(20-13-14-7-3-1-4-8-14)17-16(11-12-21-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyFGCKWLUBUYFTGI-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.77
Rot. Bonds4

About benzyl 3-phenylthiophene-2-carboxylate

benzyl 3-phenylthiophene-2-carboxylate (PubChem CID 175107738) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is benzyl 3-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenylthiophene-2-carboxylate
PubChem CID175107738
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Namebenzyl 3-phenylthiophene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H14O2S/c19-18(20-13-14-7-3-1-4-8-14)17-16(11-12-21-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyFGCKWLUBUYFTGI-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate
CID 71987891
3-phenylthiophene-2-carbonyl chloride
CID 119087278
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923156
3-pyrazol-1-ylpropyl 3-phenylthiophene-2-carboxylate
CID 86900949
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid
CID 56965502
benzyl benzoate
CID 2345
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7602927
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521
benzyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 170548737

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenylthiophene-2-carboxylate?
The IUPAC name of benzyl 3-phenylthiophene-2-carboxylate (CID 175107738) is benzyl 3-phenylthiophene-2-carboxylate.
What is the SMILES notation for benzyl 3-phenylthiophene-2-carboxylate?
The canonical SMILES for benzyl 3-phenylthiophene-2-carboxylate is O=C(OCc1ccccc1)c1sccc1-c1ccccc1.
What is the InChIKey of benzyl 3-phenylthiophene-2-carboxylate?
The InChIKey is FGCKWLUBUYFTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-18(20-13-14-7-3-1-4-8-14)17-16(11-12-21-17)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of benzyl 3-phenylthiophene-2-carboxylate?
benzyl 3-phenylthiophene-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenylthiophene-2-carboxylate is sourced from PubChem (CID 175107738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).