1,3-benzodioxol-5-ol;formic acid

C8H8O5 — CID 22468167

IUPAC1,3-benzodioxol-5-ol;formic acid
SMILESO=CO.Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O3.CH2O2/c8-5-1-2-6-7(3-5)10-4-9-6;2-1-3/h1-3,8H,4H2;1H,(H,2,3)
InChIKeyQAUZMLXSGYJVMX-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.82
Rot. Bonds

About 1,3-benzodioxol-5-ol;formic acid

1,3-benzodioxol-5-ol;formic acid (PubChem CID 22468167) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ol;formic acid.

Molecular Properties

Compound Name1,3-benzodioxol-5-ol;formic acid
PubChem CID22468167
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name1,3-benzodioxol-5-ol;formic acid
SMILESO=CO.Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O3.CH2O2/c8-5-1-2-6-7(3-5)10-4-9-6;2-1-3/h1-3,8H,4H2;1H,(H,2,3)
InChIKeyQAUZMLXSGYJVMX-UHFFFAOYSA-N
XLogP0.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-benzodioxol-5-ol;methane
CID 68940822
sodium;benzene-1,3,5-triol;1,3-benzodioxol-5-ol;hydride;thiourea
CID 173341662
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
CID 71404632
3-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 590611
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
2-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 171665791
(Z)-2-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950751
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 54086101
N-(1,3-benzodioxol-5-yl)-N-methylformamide
CID 10261671

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ol;formic acid?
The IUPAC name of 1,3-benzodioxol-5-ol;formic acid (CID 22468167) is 1,3-benzodioxol-5-ol;formic acid.
What is the SMILES notation for 1,3-benzodioxol-5-ol;formic acid?
The canonical SMILES for 1,3-benzodioxol-5-ol;formic acid is O=CO.Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ol;formic acid?
The InChIKey is QAUZMLXSGYJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.CH2O2/c8-5-1-2-6-7(3-5)10-4-9-6;2-1-3/h1-3,8H,4H2;1H,(H,2,3).
What are the key properties of 1,3-benzodioxol-5-ol;formic acid?
1,3-benzodioxol-5-ol;formic acid has a molecular weight of 184.15 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ol;formic acid is sourced from PubChem (CID 22468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).