6-butan-2-ylbenzo[f][1,3]benzodioxole

C15H16O2 — CID 142309916

IUPAC6-butan-2-ylbenzo[f][1,3]benzodioxole
SMILESCCC(C)c1ccc2cc3c(cc2c1)OCO3
InChIInChI=1S/C15H16O2/c1-3-10(2)11-4-5-12-7-14-15(17-9-16-14)8-13(12)6-11/h4-8,10H,3,9H2,1-2H3
InChIKeyRPVQBYAEMGYGEE-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.08
Rot. Bonds2

About 6-butan-2-ylbenzo[f][1,3]benzodioxole

6-butan-2-ylbenzo[f][1,3]benzodioxole (PubChem CID 142309916) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-butan-2-ylbenzo[f][1,3]benzodioxole.

Molecular Properties

Compound Name6-butan-2-ylbenzo[f][1,3]benzodioxole
PubChem CID142309916
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name6-butan-2-ylbenzo[f][1,3]benzodioxole
SMILESCCC(C)c1ccc2cc3c(cc2c1)OCO3
InChIInChI=1S/C15H16O2/c1-3-10(2)11-4-5-12-7-14-15(17-9-16-14)8-13(12)6-11/h4-8,10H,3,9H2,1-2H3
InChIKeyRPVQBYAEMGYGEE-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
2-butan-2-yl-9-methylpentacene
CID 20764702
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
2-(1,3-benzodioxol-5-yloxy)-5-butan-2-ylpyridine
CID 70948992
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[[1-(4-butan-2-ylphenoxy)-3-methylbutoxy]methyl]-1,3-benzodioxole
CID 118048664
3-(1,3-benzodioxol-5-yl)butanoic acid
CID 43211318
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
1-(1,3-benzodioxol-5-yl)-3-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]thiourea
CID 2207383
3-(1,3-benzodioxol-5-yl)-N-methylpentan-2-amine
CID 171532357
6-butan-2-yl-1-methylindazole
CID 118069514

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylbenzo[f][1,3]benzodioxole?
The IUPAC name of 6-butan-2-ylbenzo[f][1,3]benzodioxole (CID 142309916) is 6-butan-2-ylbenzo[f][1,3]benzodioxole.
What is the SMILES notation for 6-butan-2-ylbenzo[f][1,3]benzodioxole?
The canonical SMILES for 6-butan-2-ylbenzo[f][1,3]benzodioxole is CCC(C)c1ccc2cc3c(cc2c1)OCO3.
What is the InChIKey of 6-butan-2-ylbenzo[f][1,3]benzodioxole?
The InChIKey is RPVQBYAEMGYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-10(2)11-4-5-12-7-14-15(17-9-16-14)8-13(12)6-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 6-butan-2-ylbenzo[f][1,3]benzodioxole?
6-butan-2-ylbenzo[f][1,3]benzodioxole has a molecular weight of 228.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylbenzo[f][1,3]benzodioxole is sourced from PubChem (CID 142309916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).