methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate

C10H11ClO3S — CID 116930219

IUPACmethyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Cl)s2)COC1
InChIInChI=1S/C10H11ClO3S/c1-13-9(12)10(5-14-6-10)4-7-2-3-8(11)15-7/h2-3H,4-6H2,1H3
InChIKeyJYYNVKKXRRPJLT-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.13
Rot. Bonds3

About methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate

methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate (PubChem CID 116930219) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
PubChem CID116930219
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Namemethyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Cl)s2)COC1
InChIInChI=1S/C10H11ClO3S/c1-13-9(12)10(5-14-6-10)4-7-2-3-8(11)15-7/h2-3H,4-6H2,1H3
InChIKeyJYYNVKKXRRPJLT-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116930330
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
methyl 3-[[methyl(thiophen-2-yl)amino]methyl]oxetane-3-carboxylate
CID 115248623
1-[(5-chlorothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393039
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
3-[(5-chlorothiophen-2-yl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469997
methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930243
2-[(5-chlorothiophen-2-yl)methyl]thiolane-2-carboxylic acid
CID 83173851
(5-chlorothiophen-2-yl)methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319076
methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
CID 55372452
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate (CID 116930219) is methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate is COC(=O)C1(Cc2ccc(Cl)s2)COC1.
What is the InChIKey of methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate?
The InChIKey is JYYNVKKXRRPJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-13-9(12)10(5-14-6-10)4-7-2-3-8(11)15-7/h2-3H,4-6H2,1H3.
What are the key properties of methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate?
methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate has a molecular weight of 246.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate is sourced from PubChem (CID 116930219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).