cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol

C9H10Cl2OS — CID 61082213

IUPACcyclobutyl-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)C1CCC1
InChIInChI=1S/C9H10Cl2OS/c10-7-4-6(9(11)13-7)8(12)5-2-1-3-5/h4-5,8,12H,1-3H2
InChIKeySEWUSXMQWMLPAL-UHFFFAOYSA-N
MW237.15 g/mol
LogP3.89
Rot. Bonds2

About cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol

cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 61082213) has the molecular formula C9H10Cl2OS and a molecular weight of 237.15 g/mol. Its IUPAC name is cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Namecyclobutyl-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID61082213
Molecular FormulaC9H10Cl2OS
Molecular Weight237.15 g/mol
Exact Mass235.98
IUPAC Namecyclobutyl-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)C1CCC1
InChIInChI=1S/C9H10Cl2OS/c10-7-4-6(9(11)13-7)8(12)5-2-1-3-5/h4-5,8,12H,1-3H2
InChIKeySEWUSXMQWMLPAL-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol (CID 61082213) is cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol is OC(c1cc(Cl)sc1Cl)C1CCC1.
What is the InChIKey of cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is SEWUSXMQWMLPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2OS/c10-7-4-6(9(11)13-7)8(12)5-2-1-3-5/h4-5,8,12H,1-3H2.
What are the key properties of cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol?
cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 237.15 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 61082213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).