5-(oxolan-2-yl)-1,3-benzodioxole

C11H12O3 — CID 10035471

IUPAC5-(oxolan-2-yl)-1,3-benzodioxole
SMILESc1cc2c(cc1C1CCCO1)OCO2
InChIInChI=1S/C11H12O3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,1-2,5,7H2
InChIKeyQCJOBFOJNSHFBZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.27
Rot. Bonds1

About 5-(oxolan-2-yl)-1,3-benzodioxole

5-(oxolan-2-yl)-1,3-benzodioxole (PubChem CID 10035471) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1,3-benzodioxole
PubChem CID10035471
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-(oxolan-2-yl)-1,3-benzodioxole
SMILESc1cc2c(cc1C1CCCO1)OCO2
InChIInChI=1S/C11H12O3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,1-2,5,7H2
InChIKeyQCJOBFOJNSHFBZ-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(oxolan-2-yl)-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
5-[5-(iodomethyl)oxolan-2-yl]-1,3-benzodioxole
CID 102379940
5-[(1R,2R)-2-methylcyclohexyl]-1,3-benzodioxole
CID 50930797
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
CID 71380359
2-anthracen-2-yloxane
CID 91801960
8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane
CID 55082335
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
(4aS,6R,11bS)-6-(1,3-benzodioxol-5-yl)-2,3,4,4a,6,11b-hexahydro-1H-[1,3]benzodioxolo[5,6-c]chromene
CID 51704096
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1,3-benzodioxole?
The IUPAC name of 5-(oxolan-2-yl)-1,3-benzodioxole (CID 10035471) is 5-(oxolan-2-yl)-1,3-benzodioxole.
What is the SMILES notation for 5-(oxolan-2-yl)-1,3-benzodioxole?
The canonical SMILES for 5-(oxolan-2-yl)-1,3-benzodioxole is c1cc2c(cc1C1CCCO1)OCO2.
What is the InChIKey of 5-(oxolan-2-yl)-1,3-benzodioxole?
The InChIKey is QCJOBFOJNSHFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 5-(oxolan-2-yl)-1,3-benzodioxole?
5-(oxolan-2-yl)-1,3-benzodioxole has a molecular weight of 192.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1,3-benzodioxole is sourced from PubChem (CID 10035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).