methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate

C14H14O3S — CID 86241486

IUPACmethyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C14H14O3S/c1-9-7-12(8-13(16)17-2)18-14(9)10-3-5-11(15)6-4-10/h3-7,15H,8H2,1-2H3
InChIKeySBRKYHRYXVQMAY-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.14
Rot. Bonds3

About methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate

methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate (PubChem CID 86241486) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate
PubChem CID86241486
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Namemethyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C14H14O3S/c1-9-7-12(8-13(16)17-2)18-14(9)10-3-5-11(15)6-4-10/h3-7,15H,8H2,1-2H3
InChIKeySBRKYHRYXVQMAY-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4,5-dimethylthiophen-2-yl)acetate
CID 13351277
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
CID 146300530
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate
CID 134241403
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
methyl 3-amino-4-(4-hydroxyphenyl)-5-phenylthiophene-2-carboxylate
CID 67265008
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]-N-hydroxyacetamide;2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetic acid;methyl 2-[3,5-dimethyl-4-(4-methylphenoxy)phenyl]acetate;methyl 2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetate
CID 159371031
methyl 2-[5-[2-(3,4-dimethylphenyl)acetyl]thiophen-2-yl]acetate
CID 82886040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate (CID 86241486) is methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate is COC(=O)Cc1cc(C)c(-c2ccc(O)cc2)s1.
What is the InChIKey of methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate?
The InChIKey is SBRKYHRYXVQMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-7-12(8-13(16)17-2)18-14(9)10-3-5-11(15)6-4-10/h3-7,15H,8H2,1-2H3.
What are the key properties of methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate?
methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate has a molecular weight of 262.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate is sourced from PubChem (CID 86241486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).