7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine

C12H15ClO2 — CID 90860259

IUPAC7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)Cc1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C12H15ClO2/c1-8(2)5-9-6-10(13)7-11-12(9)15-4-3-14-11/h6-8H,3-5H2,1-2H3
InChIKeyLKZOAOPTSZYMSQ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.31
Rot. Bonds2

About 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine

7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 90860259) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID90860259
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)Cc1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C12H15ClO2/c1-8(2)5-9-6-10(13)7-11-12(9)15-4-3-14-11/h6-8H,3-5H2,1-2H3
InChIKeyLKZOAOPTSZYMSQ-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-2-amine
CID 117396096
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpropan-1-amine
CID 43087517
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383596
1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
CID 118359557
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702911
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine (CID 90860259) is 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine is CC(C)Cc1cc(Cl)cc2c1OCCO2.
What is the InChIKey of 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is LKZOAOPTSZYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)5-9-6-10(13)7-11-12(9)15-4-3-14-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 226.70 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 90860259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).