(2-ethenylphenyl)methyl thiophene-3-carboxylate

C14H12O2S — CID 172538879

IUPAC(2-ethenylphenyl)methyl thiophene-3-carboxylate
SMILESC=Cc1ccccc1COC(=O)c1ccsc1
InChIInChI=1S/C14H12O2S/c1-2-11-5-3-4-6-12(11)9-16-14(15)13-7-8-17-10-13/h2-8,10H,1,9H2
InChIKeyGODCIHBEVHHOJT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.75
Rot. Bonds4

About (2-ethenylphenyl)methyl thiophene-3-carboxylate

(2-ethenylphenyl)methyl thiophene-3-carboxylate (PubChem CID 172538879) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is (2-ethenylphenyl)methyl thiophene-3-carboxylate.

Molecular Properties

Compound Name(2-ethenylphenyl)methyl thiophene-3-carboxylate
PubChem CID172538879
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name(2-ethenylphenyl)methyl thiophene-3-carboxylate
SMILESC=Cc1ccccc1COC(=O)c1ccsc1
InChIInChI=1S/C14H12O2S/c1-2-11-5-3-4-6-12(11)9-16-14(15)13-7-8-17-10-13/h2-8,10H,1,9H2
InChIKeyGODCIHBEVHHOJT-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbamothioic S-acid;O-[(2-ethenylphenyl)methyl] carbamothioate
CID 87186724
2-benzamidoethyl thiophene-3-carboxylate
CID 71987556
1-ethenyl-2-[2-[(2-ethenylphenyl)methoxy]ethoxymethyl]benzene
CID 86246407
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
(4-amino-4-oxobutyl) thiophene-3-carboxylate
CID 71974804
[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
CID 155680336
(7-hydroxy-2-oxochromen-4-yl)methyl thiophene-3-carboxylate
CID 30402357
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
CID 30402187
2-(thiophene-3-carbonyloxy)ethanesulfonic acid
CID 129061901
3-[(2-ethenylphenyl)methoxy]propan-1-ol
CID 22406179
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl)methyl thiophene-3-carboxylate?
The IUPAC name of (2-ethenylphenyl)methyl thiophene-3-carboxylate (CID 172538879) is (2-ethenylphenyl)methyl thiophene-3-carboxylate.
What is the SMILES notation for (2-ethenylphenyl)methyl thiophene-3-carboxylate?
The canonical SMILES for (2-ethenylphenyl)methyl thiophene-3-carboxylate is C=Cc1ccccc1COC(=O)c1ccsc1.
What is the InChIKey of (2-ethenylphenyl)methyl thiophene-3-carboxylate?
The InChIKey is GODCIHBEVHHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-2-11-5-3-4-6-12(11)9-16-14(15)13-7-8-17-10-13/h2-8,10H,1,9H2.
What are the key properties of (2-ethenylphenyl)methyl thiophene-3-carboxylate?
(2-ethenylphenyl)methyl thiophene-3-carboxylate has a molecular weight of 244.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl)methyl thiophene-3-carboxylate is sourced from PubChem (CID 172538879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).