3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine

C17H18O2 — CID 123726273

IUPAC3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
SMILESCCCc1ccc2c(c1)OCc1ccccc1CO2
InChIInChI=1S/C17H18O2/c1-2-5-13-8-9-16-17(10-13)19-12-15-7-4-3-6-14(15)11-18-16/h3-4,6-10H,2,5,11-12H2,1H3
InChIKeyIIVFYMCPWYOEIC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.11
Rot. Bonds2

About 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine

3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine (PubChem CID 123726273) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine.

Molecular Properties

Compound Name3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
PubChem CID123726273
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
SMILESCCCc1ccc2c(c1)OCc1ccccc1CO2
InChIInChI=1S/C17H18O2/c1-2-5-13-8-9-16-17(10-13)19-12-15-7-4-3-6-14(15)11-18-16/h3-4,6-10H,2,5,11-12H2,1H3
InChIKeyIIVFYMCPWYOEIC-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propyl-3H-2-benzofuran-1-one
CID 123428472
5-(chloromethyl)-6-propyl-1,3-benzodioxole;5-propyl-1,3-benzodioxole
CID 163613157
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpropan-1-amine
CID 143221337
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
3-propyl-10H-phenoxazine
CID 140739556
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-methylethanamine;ethane;ethene
CID 171532305
2-[2-[ethyl(hydroxy)amino]ethyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 10780497
2-ethyl-6H-benzo[c][1]benzoxepin-11-one
CID 13052208

Frequently Asked Questions

What is the IUPAC name of 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine?
The IUPAC name of 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine (CID 123726273) is 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine.
What is the SMILES notation for 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine?
The canonical SMILES for 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine is CCCc1ccc2c(c1)OCc1ccccc1CO2.
What is the InChIKey of 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine?
The InChIKey is IIVFYMCPWYOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-5-13-8-9-16-17(10-13)19-12-15-7-4-3-6-14(15)11-18-16/h3-4,6-10H,2,5,11-12H2,1H3.
What are the key properties of 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine?
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine has a molecular weight of 254.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine is sourced from PubChem (CID 123726273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).