5-chloro-1,3-benzodioxole;propanoic acid

C10H11ClO4 — CID 67761834

IUPAC5-chloro-1,3-benzodioxole;propanoic acid
SMILESCCC(=O)O.Clc1ccc2c(c1)OCO2
InChIInChI=1S/C7H5ClO2.C3H6O2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2-3(4)5/h1-3H,4H2;2H2,1H3,(H,4,5)
InChIKeyDBBUZTZTYTYYFK-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.55
Rot. Bonds1

About 5-chloro-1,3-benzodioxole;propanoic acid

5-chloro-1,3-benzodioxole;propanoic acid (PubChem CID 67761834) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-chloro-1,3-benzodioxole;propanoic acid.

Molecular Properties

Compound Name5-chloro-1,3-benzodioxole;propanoic acid
PubChem CID67761834
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name5-chloro-1,3-benzodioxole;propanoic acid
SMILESCCC(=O)O.Clc1ccc2c(c1)OCO2
InChIInChI=1S/C7H5ClO2.C3H6O2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2-3(4)5/h1-3H,4H2;2H2,1H3,(H,4,5)
InChIKeyDBBUZTZTYTYYFK-UHFFFAOYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1,3-benzodioxole;propanoic acid 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

3-(1,3-benzodioxol-5-yl)propan-1-ol;propanoic acid
CID 175171619
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
7-chloro-3-ethyl-2,4-dihydro-1,5-benzodioxepin-3-ol
CID 59435914
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)propanoic acid
CID 82139345
3-(1,3-benzodioxol-5-yl)-3-hydroxypentanoic acid
CID 82049199
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
2-[2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl]acetic acid
CID 14514907
3-(1,3-benzodioxol-5-yl)butanoic acid
CID 43211318
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-benzodioxole;propanoic acid?
The IUPAC name of 5-chloro-1,3-benzodioxole;propanoic acid (CID 67761834) is 5-chloro-1,3-benzodioxole;propanoic acid.
What is the SMILES notation for 5-chloro-1,3-benzodioxole;propanoic acid?
The canonical SMILES for 5-chloro-1,3-benzodioxole;propanoic acid is CCC(=O)O.Clc1ccc2c(c1)OCO2.
What is the InChIKey of 5-chloro-1,3-benzodioxole;propanoic acid?
The InChIKey is DBBUZTZTYTYYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.C3H6O2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2-3(4)5/h1-3H,4H2;2H2,1H3,(H,4,5).
What are the key properties of 5-chloro-1,3-benzodioxole;propanoic acid?
5-chloro-1,3-benzodioxole;propanoic acid has a molecular weight of 230.65 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-benzodioxole;propanoic acid is sourced from PubChem (CID 67761834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).