1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol

C16H16O3 — CID 18972190

IUPAC1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16O3/c17-14(8-6-12-4-2-1-3-5-12)13-7-9-15-16(10-13)19-11-18-15/h1-5,7,9-10,14,17H,6,8,11H2
InChIKeyWHAYMZFSCFBRFW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.08
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol

1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol (PubChem CID 18972190) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
PubChem CID18972190
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16O3/c17-14(8-6-12-4-2-1-3-5-12)13-7-9-15-16(10-13)19-11-18-15/h1-5,7,9-10,14,17H,6,8,11H2
InChIKeyWHAYMZFSCFBRFW-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol 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

1-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006036
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
CID 64513516
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium
CID 6934705
1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-ol
CID 13284319
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-benzylazanium
CID 7317147
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
2-(1,3-benzodioxol-5-yloxy)-4-phenylbutanoic acid
CID 59215024
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199
2-[6-(1-hydroxy-3-phenylpropyl)-1,3-benzodioxol-5-yl]pentanoic acid
CID 67577745

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol (CID 18972190) is 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol?
The InChIKey is WHAYMZFSCFBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14(8-6-12-4-2-1-3-5-12)13-7-9-15-16(10-13)19-11-18-15/h1-5,7,9-10,14,17H,6,8,11H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol?
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 18972190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).