1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol

C10H9ClO3 — CID 117303319

IUPAC1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)cc3c2OCO3)CC1
InChIInChI=1S/C10H9ClO3/c11-6-3-7(10(12)1-2-10)9-8(4-6)13-5-14-9/h3-4,12H,1-2,5H2
InChIKeyHAISFCDGXAOXQA-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.05
Rot. Bonds1

About 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol

1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol (PubChem CID 117303319) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
PubChem CID117303319
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)cc3c2OCO3)CC1
InChIInChI=1S/C10H9ClO3/c11-6-3-7(10(12)1-2-10)9-8(4-6)13-5-14-9/h3-4,12H,1-2,5H2
InChIKeyHAISFCDGXAOXQA-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117357117
2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117321549
5-chloro-7-(1-hydroxycyclopropyl)-1,3-benzodioxole-4-carbaldehyde
CID 117353871
1-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117389985
1-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117389986
4-tert-butyl-6-chloro-1,3-benzodioxole
CID 58363516
5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
CID 117284324
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol
CID 117393678
1-(6-chloro-1,3-benzodioxol-4-yl)ethanamine
CID 58707338
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol (CID 117303319) is 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol is OC1(c2cc(Cl)cc3c2OCO3)CC1.
What is the InChIKey of 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The InChIKey is HAISFCDGXAOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-6-3-7(10(12)1-2-10)9-8(4-6)13-5-14-9/h3-4,12H,1-2,5H2.
What are the key properties of 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol has a molecular weight of 212.63 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 117303319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).