2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol

C12H13ClO3 — CID 117354034

IUPAC2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol
SMILESOCCc1cc2c(cc1Cl)OC1(CCC1)O2
InChIInChI=1S/C12H13ClO3/c13-9-7-11-10(6-8(9)2-5-14)15-12(16-11)3-1-4-12/h6-7,14H,1-5H2
InChIKeyXKPURTOSQBPDCR-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.53
Rot. Bonds2

About 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol

2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol (PubChem CID 117354034) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol.

Molecular Properties

Compound Name2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol
PubChem CID117354034
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol
SMILESOCCc1cc2c(cc1Cl)OC1(CCC1)O2
InChIInChI=1S/C12H13ClO3/c13-9-7-11-10(6-8(9)2-5-14)15-12(16-11)3-1-4-12/h6-7,14H,1-5H2
InChIKeyXKPURTOSQBPDCR-UHFFFAOYSA-N
XLogP2.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol?
The IUPAC name of 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol (CID 117354034) is 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol.
What is the SMILES notation for 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol?
The canonical SMILES for 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol is OCCc1cc2c(cc1Cl)OC1(CCC1)O2.
What is the InChIKey of 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol?
The InChIKey is XKPURTOSQBPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c13-9-7-11-10(6-8(9)2-5-14)15-12(16-11)3-1-4-12/h6-7,14H,1-5H2.
What are the key properties of 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol?
2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol has a molecular weight of 240.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol is sourced from PubChem (CID 117354034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).