1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol

C10H11ClO3 — CID 83988194

IUPAC1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCCC(O)c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C10H11ClO3/c1-2-8(12)6-3-9-10(4-7(6)11)14-5-13-9/h3-4,8,12H,2,5H2,1H3
InChIKeyAPRNENKGKBURDX-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.51
Rot. Bonds2

About 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol

1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 83988194) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID83988194
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCCC(O)c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C10H11ClO3/c1-2-8(12)6-3-9-10(4-7(6)11)14-5-13-9/h3-4,8,12H,2,5H2,1H3
InChIKeyAPRNENKGKBURDX-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,3-benzodioxol-5-yl)butan-1-ol
CID 83988195
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-amine;hydrochloride
CID 171215133
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylpentan-1-ol
CID 114875916
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
ethyl (3S)-3-amino-3-(6-chloro-1,3-benzodioxol-5-yl)propanoate;hydrochloride
CID 171234805
(1S,2R)-1-amino-1-(6-chloro-1,3-benzodioxol-5-yl)hexan-2-ol
CID 171271368
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
2-(6-chloro-1,3-benzodioxol-5-yl)propanoic acid
CID 105424268
methyl 2-(6-chloro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 22467215
(1S,2R)-1-amino-1-(6-chloro-1,3-benzodioxol-5-yl)-5-methylhexan-2-ol;hydrochloride
CID 171271371
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol (CID 83988194) is 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol is CCC(O)c1cc2c(cc1Cl)OCO2.
What is the InChIKey of 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is APRNENKGKBURDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-8(12)6-3-9-10(4-7(6)11)14-5-13-9/h3-4,8,12H,2,5H2,1H3.
What are the key properties of 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol?
1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 214.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 83988194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).