2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid

C16H14O5 — CID 43214838

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCC1COc2ccccc2O1
InChIInChI=1S/C16H14O5/c17-16(18)12-5-1-2-6-13(12)19-9-11-10-20-14-7-3-4-8-15(14)21-11/h1-8,11H,9-10H2,(H,17,18)
InChIKeyZZDRRXDOCCRHKF-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.60
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid (PubChem CID 43214838) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
PubChem CID43214838
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCC1COc2ccccc2O1
InChIInChI=1S/C16H14O5/c17-16(18)12-5-1-2-6-13(12)19-9-11-10-20-14-7-3-4-8-15(14)21-11/h1-8,11H,9-10H2,(H,17,18)
InChIKeyZZDRRXDOCCRHKF-UHFFFAOYSA-N
XLogP2.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyridine-3-carboxylic acid
CID 63850335
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 43241355
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butanoic acid
CID 84617965
2-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]methyl]pyridine-3-carboxylic acid
CID 138003749
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7433078
1-[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]-3-phenylpropan-1-one
CID 40582746

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid (CID 43214838) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCC1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid?
The InChIKey is ZZDRRXDOCCRHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-16(18)12-5-1-2-6-13(12)19-9-11-10-20-14-7-3-4-8-15(14)21-11/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 43214838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).