7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol

C11H11ClO3 — CID 84690726

IUPAC7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol
SMILESOc1cc2c(cc1Cl)OCC1(CC1)CO2
InChIInChI=1S/C11H11ClO3/c12-7-3-9-10(4-8(7)13)15-6-11(1-2-11)5-14-9/h3-4,13H,1-2,5-6H2
InChIKeyJSSNMXZBBWDNBP-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.60
Rot. Bonds

About 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol

7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol (PubChem CID 84690726) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol.

Molecular Properties

Compound Name7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol
PubChem CID84690726
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol
SMILESOc1cc2c(cc1Cl)OCC1(CC1)CO2
InChIInChI=1S/C11H11ClO3/c12-7-3-9-10(4-8(7)13)15-6-11(1-2-11)5-14-9/h3-4,13H,1-2,5-6H2
InChIKeyJSSNMXZBBWDNBP-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol?
The IUPAC name of 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol (CID 84690726) is 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol.
What is the SMILES notation for 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol?
The canonical SMILES for 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol is Oc1cc2c(cc1Cl)OCC1(CC1)CO2.
What is the InChIKey of 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol?
The InChIKey is JSSNMXZBBWDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-7-3-9-10(4-8(7)13)15-6-11(1-2-11)5-14-9/h3-4,13H,1-2,5-6H2.
What are the key properties of 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol?
7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol has a molecular weight of 226.66 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol is sourced from PubChem (CID 84690726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).