5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol

C14H12O4 — CID 102219638

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)9-1-2-13-14(7-9)18-4-3-17-13/h1-2,5-8,15-16H,3-4H2
InChIKeyFXBMOOHNFHSBIT-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.54
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol

5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol (PubChem CID 102219638) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
PubChem CID102219638
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)9-1-2-13-14(7-9)18-4-3-17-13/h1-2,5-8,15-16H,3-4H2
InChIKeyFXBMOOHNFHSBIT-UHFFFAOYSA-N
XLogP2.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
CID 83128683
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
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
9-[2,6-bis(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)pyrylium-4-yl]-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 102211345
6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 172650802
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxypyran-2-one
CID 54713211
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
CID 174573301
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone
CID 59496794

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol (CID 102219638) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol is Oc1cc(O)cc(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol?
The InChIKey is FXBMOOHNFHSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)9-1-2-13-14(7-9)18-4-3-17-13/h1-2,5-8,15-16H,3-4H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol has a molecular weight of 244.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol is sourced from PubChem (CID 102219638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).