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

C14H12O4 — CID 10149192

IUPAC4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
SMILESOc1ccc(C2COc3ccccc3O2)cc1O
InChIInChI=1S/C14H12O4/c15-10-6-5-9(7-11(10)16)14-8-17-12-3-1-2-4-13(12)18-14/h1-7,14-16H,8H2
InChIKeyMQKSYSGFKIRXTF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.61
Rot. Bonds1

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

4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol (PubChem CID 10149192) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
PubChem CID10149192
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
SMILESOc1ccc(C2COc3ccccc3O2)cc1O
InChIInChI=1S/C14H12O4/c15-10-6-5-9(7-11(10)16)14-8-17-12-3-1-2-4-13(12)18-14/h1-7,14-16H,8H2
InChIKeyMQKSYSGFKIRXTF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819
4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]benzene-1,2-diol
CID 43182111
methyl 3-(2,3-dihydro-1,4-benzodioxin-3-yl)benzoate
CID 167596857
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-hydroperoxy-N'-methylbenzenecarboximidamide
CID 167188189
1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 66547107
6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
CID 130296443
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
CID 129498299
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
CID 135025433
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol (CID 10149192) is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol is Oc1ccc(C2COc3ccccc3O2)cc1O.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol?
The InChIKey is MQKSYSGFKIRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-10-6-5-9(7-11(10)16)14-8-17-12-3-1-2-4-13(12)18-14/h1-7,14-16H,8H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol?
4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol has a molecular weight of 244.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol is sourced from PubChem (CID 10149192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).