methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate

C14H20O4S — CID 167925614

IUPACmethyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1OCC1CCC(O)CC1
InChIInChI=1S/C14H20O4S/c1-9-8-19-13(14(16)17-2)12(9)18-7-10-3-5-11(15)6-4-10/h8,10-11,15H,3-7H2,1-2H3
InChIKeyMPRVBKBKXJRIMR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.77
Rot. Bonds4

About methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate

methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate (PubChem CID 167925614) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate
PubChem CID167925614
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Namemethyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1OCC1CCC(O)CC1
InChIInChI=1S/C14H20O4S/c1-9-8-19-13(14(16)17-2)12(9)18-7-10-3-5-11(15)6-4-10/h8,10-11,15H,3-7H2,1-2H3
InChIKeyMPRVBKBKXJRIMR-UHFFFAOYSA-N
XLogP2.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-bromo-3-(cyclobutylmethoxy)thiophene-2-carboxylate
CID 166436345
methyl 3-(cyclopropylmethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]thiophene-2-carboxylate
CID 19261292
methyl 3-chloro-2-(cyclopropylmethoxy)-6-hydroxy-4-methylbenzoate
CID 169245937
methyl 3,4-dimethoxythiophene-2-carboxylate
CID 167832202
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420
methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 67057251
methyl 3-(cyclopropylmethoxy)-1-methylpyrazole-5-carboxylate
CID 146278831
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate (CID 167925614) is methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1OCC1CCC(O)CC1.
What is the InChIKey of methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate?
The InChIKey is MPRVBKBKXJRIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-9-8-19-13(14(16)17-2)12(9)18-7-10-3-5-11(15)6-4-10/h8,10-11,15H,3-7H2,1-2H3.
What are the key properties of methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate?
methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxycyclohexyl)methoxy]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 167925614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).