2-(1,3-benzodioxol-5-yl)propan-1-ol

C10H12O3 — CID 82075044

IUPAC2-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-7(5-11)8-2-3-9-10(4-8)13-6-12-9/h2-4,7,11H,5-6H2,1H3
InChIKeyNDMHYKOBRCUQNN-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)propan-1-ol

2-(1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 82075044) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID82075044
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-7(5-11)8-2-3-9-10(4-8)13-6-12-9/h2-4,7,11H,5-6H2,1H3
InChIKeyNDMHYKOBRCUQNN-UHFFFAOYSA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)butanoic acid
CID 43211318
(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
CID 102028593
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
2-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]sulfanylpropan-1-ol
CID 113374038
N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
CID 22773282
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
CID 67559257
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
4-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]ethyl]phenol
CID 43689442

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)propan-1-ol (CID 82075044) is 2-(1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)propan-1-ol is CC(CO)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is NDMHYKOBRCUQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(5-11)8-2-3-9-10(4-8)13-6-12-9/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)propan-1-ol?
2-(1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 180.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 82075044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).