6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

C10H10O5 — CID 57422331

IUPAC6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)OCCO2
InChIInChI=1S/C10H10O5/c1-13-7-5-9-8(14-2-3-15-9)4-6(7)10(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWZJGVPWIHHYBEG-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.16
Rot. Bonds2

About 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (PubChem CID 57422331) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
PubChem CID57422331
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)OCCO2
InChIInChI=1S/C10H10O5/c1-13-7-5-9-8(14-2-3-15-9)4-6(7)10(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWZJGVPWIHHYBEG-UHFFFAOYSA-N
XLogP1.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 66871110
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
6-methylsulfanyl-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 83814911
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399
1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
CID 132988636
5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid
CID 144528201

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The IUPAC name of 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (CID 57422331) is 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The canonical SMILES for 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is COc1cc2c(cc1C(=O)O)OCCO2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The InChIKey is WZJGVPWIHHYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-13-7-5-9-8(14-2-3-15-9)4-6(7)10(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is sourced from PubChem (CID 57422331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).