5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol

C9H10O3 — CID 84652316

IUPAC5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCc1cc(O)cc2c1OCCO2
InChIInChI=1S/C9H10O3/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,10H,2-3H2,1H3
InChIKeyHBXUEGAVTFDRBS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.47
Rot. Bonds

About 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol

5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 84652316) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID84652316
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESCc1cc(O)cc2c1OCCO2
InChIInChI=1S/C9H10O3/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,10H,2-3H2,1H3
InChIKeyHBXUEGAVTFDRBS-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
5-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117298493
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 13067783
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
1-(7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropane-1-carboxylic acid
CID 117344322
ethyl 2-hydroxy-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 117383481
6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
CID 90370994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol (CID 84652316) is 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol is Cc1cc(O)cc2c1OCCO2.
What is the InChIKey of 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is HBXUEGAVTFDRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5,10H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol?
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 166.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 84652316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).