7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C13H18O2 — CID 155120601

IUPAC7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc2c(cc1C(C)C)OCCO2
InChIInChI=1S/C13H18O2/c1-4-10-7-12-13(15-6-5-14-12)8-11(10)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyRIAZVEXSWYLSTF-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds2

About 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 155120601) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID155120601
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc2c(cc1C(C)C)OCCO2
InChIInChI=1S/C13H18O2/c1-4-10-7-12-13(15-6-5-14-12)8-11(10)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyRIAZVEXSWYLSTF-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117345188
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-methyl-3-(6-propan-2-yl-1,3-benzodioxol-5-yl)propanoic acid
CID 117378866
5-(isocyanatomethyl)-6-propan-2-yl-1,3-benzodioxole
CID 117311969
17,18-di(butan-2-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 4222961
ethyl 2-oxo-2-(7-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 117445951
1-[1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117371392
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117291504
4-(6-propan-2-yl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117342934
1-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-2-ol
CID 117362158
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042
7-bromo-8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 84712960

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 155120601) is 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is CCc1cc2c(cc1C(C)C)OCCO2.
What is the InChIKey of 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is RIAZVEXSWYLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-10-7-12-13(15-6-5-14-12)8-11(10)9(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 206.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 155120601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).