1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol

C14H15ClO3 — CID 117420668

IUPAC1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
SMILESOC1(c2cc3c(cc2Cl)OC2(CCCC2)O3)CC1
InChIInChI=1S/C14H15ClO3/c15-10-8-12-11(7-9(10)13(16)5-6-13)17-14(18-12)3-1-2-4-14/h7-8,16H,1-6H2
InChIKeyYVSQVVHHJUEBKT-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.36
Rot. Bonds1

About 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol

1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol (PubChem CID 117420668) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
PubChem CID117420668
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
SMILESOC1(c2cc3c(cc2Cl)OC2(CCCC2)O3)CC1
InChIInChI=1S/C14H15ClO3/c15-10-8-12-11(7-9(10)13(16)5-6-13)17-14(18-12)3-1-2-4-14/h7-8,16H,1-6H2
InChIKeyYVSQVVHHJUEBKT-UHFFFAOYSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol (CID 117420668) is 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol is OC1(c2cc3c(cc2Cl)OC2(CCCC2)O3)CC1.
What is the InChIKey of 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol?
The InChIKey is YVSQVVHHJUEBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c15-10-8-12-11(7-9(10)13(16)5-6-13)17-14(18-12)3-1-2-4-14/h7-8,16H,1-6H2.
What are the key properties of 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol?
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol has a molecular weight of 266.72 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117420668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).