5-cyclopropyl-2,3-dihydro-1,4-benzodioxine

C11H12O2 — CID 54515769

IUPAC5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(c(C3CC3)c1)OCCO2
InChIInChI=1S/C11H12O2/c1-2-9(8-4-5-8)11-10(3-1)12-6-7-13-11/h1-3,8H,4-7H2
InChIKeyYMHMOUGWOOLOSY-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.34
Rot. Bonds1

About 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine

5-cyclopropyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 54515769) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
PubChem CID54515769
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(c(C3CC3)c1)OCCO2
InChIInChI=1S/C11H12O2/c1-2-9(8-4-5-8)11-10(3-1)12-6-7-13-11/h1-3,8H,4-7H2
InChIKeyYMHMOUGWOOLOSY-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 178072510
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
CID 82623069
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol
CID 10861457
[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
CID 82623053
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine
CID 67621069
(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine
CID 82383345

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine (CID 54515769) is 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine is c1cc2c(c(C3CC3)c1)OCCO2.
What is the InChIKey of 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is YMHMOUGWOOLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-9(8-4-5-8)11-10(3-1)12-6-7-13-11/h1-3,8H,4-7H2.
What are the key properties of 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine?
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 176.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 54515769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).