methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate

C14H14O2S — CID 165167900

IUPACmethyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1-c1ccc(C)s1
InChIInChI=1S/C14H14O2S/c1-10-7-8-13(17-10)12-6-4-3-5-11(12)9-14(15)16-2/h3-8H,9H2,1-2H3
InChIKeyYNCMNYGBNQRVMZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.44
Rot. Bonds3

About methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate

methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate (PubChem CID 165167900) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
PubChem CID165167900
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namemethyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1-c1ccc(C)s1
InChIInChI=1S/C14H14O2S/c1-10-7-8-13(17-10)12-6-4-3-5-11(12)9-14(15)16-2/h3-8H,9H2,1-2H3
InChIKeyYNCMNYGBNQRVMZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169385414
dimethyl 2,5-bis(5-methylthiophen-2-yl)benzene-1,4-dicarboxylate
CID 58224320
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
methyl 2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate;2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 158705132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate (CID 165167900) is methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate is COC(=O)Cc1ccccc1-c1ccc(C)s1.
What is the InChIKey of methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate?
The InChIKey is YNCMNYGBNQRVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-7-8-13(17-10)12-6-4-3-5-11(12)9-14(15)16-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate?
methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate has a molecular weight of 246.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate is sourced from PubChem (CID 165167900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).