2-propyl-1,3-benzodioxole;hydrochloride

C10H13ClO2 — CID 172752983

IUPAC2-propyl-1,3-benzodioxole;hydrochloride
SMILESCCCC1Oc2ccccc2O1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h3-4,6-7,10H,2,5H2,1H3;1H
InChIKeyKQBAKUYCOKUANC-UHFFFAOYSA-N
MW200.67 g/mol
LogP3.01
Rot. Bonds2

About 2-propyl-1,3-benzodioxole;hydrochloride

2-propyl-1,3-benzodioxole;hydrochloride (PubChem CID 172752983) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-propyl-1,3-benzodioxole;hydrochloride.

Molecular Properties

Compound Name2-propyl-1,3-benzodioxole;hydrochloride
PubChem CID172752983
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name2-propyl-1,3-benzodioxole;hydrochloride
SMILESCCCC1Oc2ccccc2O1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h3-4,6-7,10H,2,5H2,1H3;1H
InChIKeyKQBAKUYCOKUANC-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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11-undecyl-5H-benzo[d][1,3]benzodioxocine
CID 102512718
(3S)-3-propyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 125479547
2-(2,2-difluoroethyl)-1,3-benzodioxole
CID 84660391
N-ethyl-1,3-benzodioxol-2-amine
CID 91350039
4-hexyl-2-propyl-1,4-benzoxazin-3-one
CID 71156433
(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol
CID 168763034
8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
CID 138973780
3-(1,3-benzodioxol-2-yl)hexan-3-amine
CID 140937888
N,N-dimethyl-1,3-benzodioxol-2-amine
CID 4271632
4,4-diphenyl-2-propyl-1,3-oxathiolan-5-one
CID 596985

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-benzodioxole;hydrochloride?
The IUPAC name of 2-propyl-1,3-benzodioxole;hydrochloride (CID 172752983) is 2-propyl-1,3-benzodioxole;hydrochloride.
What is the SMILES notation for 2-propyl-1,3-benzodioxole;hydrochloride?
The canonical SMILES for 2-propyl-1,3-benzodioxole;hydrochloride is CCCC1Oc2ccccc2O1.Cl.
What is the InChIKey of 2-propyl-1,3-benzodioxole;hydrochloride?
The InChIKey is KQBAKUYCOKUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.ClH/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h3-4,6-7,10H,2,5H2,1H3;1H.
What are the key properties of 2-propyl-1,3-benzodioxole;hydrochloride?
2-propyl-1,3-benzodioxole;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-benzodioxole;hydrochloride is sourced from PubChem (CID 172752983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).