3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C20H24O2 — CID 170149059

IUPAC3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OC(CC(C)c1ccccc1)CO2
InChIInChI=1S/C20H24O2/c1-14(2)17-9-10-19-20(12-17)22-18(13-21-19)11-15(3)16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3
InChIKeyMVIXQMWENNFQFN-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.14
Rot. Bonds4

About 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 170149059) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID170149059
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OC(CC(C)c1ccccc1)CO2
InChIInChI=1S/C20H24O2/c1-14(2)17-9-10-19-20(12-17)22-18(13-21-19)11-15(3)16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3
InChIKeyMVIXQMWENNFQFN-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(4-fluorophenyl)propyl]-17-propan-2-yl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 130279699
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
6-methyl-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715231
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
2-[2-(3,4-dihydro-2H-chromen-6-yl)propyl]-7-propan-2-yl-3,4-dihydro-2H-chromene
CID 134351317
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
6-bromo-3-(2-methoxypropyl)-2,3-dihydro-1,4-benzodioxine
CID 129037053
7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714792
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 170149059) is 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is CC(C)c1ccc2c(c1)OC(CC(C)c1ccccc1)CO2.
What is the InChIKey of 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is MVIXQMWENNFQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-14(2)17-9-10-19-20(12-17)22-18(13-21-19)11-15(3)16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3.
What are the key properties of 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 296.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 170149059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).