1,3-benzodioxol-5-ol;methane

C8H10O3 — CID 68940822

IUPAC1,3-benzodioxol-5-ol;methane
SMILESC.Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O3.CH4/c8-5-1-2-6-7(3-5)10-4-9-6;/h1-3,8H,4H2;1H4
InChIKeyYGYZFEMUTIPACN-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.76
Rot. Bonds

About 1,3-benzodioxol-5-ol;methane

1,3-benzodioxol-5-ol;methane (PubChem CID 68940822) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ol;methane.

Molecular Properties

Compound Name1,3-benzodioxol-5-ol;methane
PubChem CID68940822
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1,3-benzodioxol-5-ol;methane
SMILESC.Oc1ccc2c(c1)OCO2
InChIInChI=1S/C7H6O3.CH4/c8-5-1-2-6-7(3-5)10-4-9-6;/h1-3,8H,4H2;1H4
InChIKeyYGYZFEMUTIPACN-UHFFFAOYSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-ol;formic acid
CID 22468167
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
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
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
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
CID 11499814
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
2-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 171665791
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ol;methane?
The IUPAC name of 1,3-benzodioxol-5-ol;methane (CID 68940822) is 1,3-benzodioxol-5-ol;methane.
What is the SMILES notation for 1,3-benzodioxol-5-ol;methane?
The canonical SMILES for 1,3-benzodioxol-5-ol;methane is C.Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ol;methane?
The InChIKey is YGYZFEMUTIPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.CH4/c8-5-1-2-6-7(3-5)10-4-9-6;/h1-3,8H,4H2;1H4.
What are the key properties of 1,3-benzodioxol-5-ol;methane?
1,3-benzodioxol-5-ol;methane has a molecular weight of 154.16 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ol;methane is sourced from PubChem (CID 68940822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).