5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol

C10H10O4 — CID 117284324

IUPAC5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
SMILESOc1c(C2(O)CC2)ccc2c1OCO2
InChIInChI=1S/C10H10O4/c11-8-6(10(12)3-4-10)1-2-7-9(8)14-5-13-7/h1-2,11-12H,3-5H2
InChIKeyVMLZEQGXOUAKPC-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.10
Rot. Bonds1

About 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol

5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol (PubChem CID 117284324) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
PubChem CID117284324
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
SMILESOc1c(C2(O)CC2)ccc2c1OCO2
InChIInChI=1S/C10H10O4/c11-8-6(10(12)3-4-10)1-2-7-9(8)14-5-13-7/h1-2,11-12H,3-5H2
InChIKeyVMLZEQGXOUAKPC-UHFFFAOYSA-N
XLogP1.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-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

5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117303319
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
CID 117286045
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-[1-(4-chloro-1,3-benzodioxol-5-yl)cyclopropyl]acetic acid
CID 117389760
6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
6-[1-(1-aminoethyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117342273
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol (CID 117284324) is 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol is Oc1c(C2(O)CC2)ccc2c1OCO2.
What is the InChIKey of 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol?
The InChIKey is VMLZEQGXOUAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-6(10(12)3-4-10)1-2-7-9(8)14-5-13-7/h1-2,11-12H,3-5H2.
What are the key properties of 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol?
5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol has a molecular weight of 194.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117284324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).