2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid

C10H9ClO5 — CID 117363550

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c2c1OCCO2
InChIInChI=1S/C10H9ClO5/c11-6-2-1-5(7(12)10(13)14)8-9(6)16-4-3-15-8/h1-2,7,12H,3-4H2,(H,13,14)
InChIKeyMPQSGDAHQVXBNB-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.23
Rot. Bonds2

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid (PubChem CID 117363550) has the molecular formula C10H9ClO5 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
PubChem CID117363550
Molecular FormulaC10H9ClO5
Molecular Weight244.63 g/mol
Exact Mass244.01
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c2c1OCCO2
InChIInChI=1S/C10H9ClO5/c11-6-2-1-5(7(12)10(13)14)8-9(6)16-4-3-15-8/h1-2,7,12H,3-4H2,(H,13,14)
InChIKeyMPQSGDAHQVXBNB-UHFFFAOYSA-N
XLogP1.23
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-hydroxyacetic acid
CID 117400186
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
CID 117466609
2-(8-formyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetic acid
CID 117348416
2-amino-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)acetic acid
CID 117397450
3-amino-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)propanoic acid
CID 117431959
2-hydroxy-2-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]acetic acid
CID 117471799
2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117411285
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-3-cyclopropylpropanoic acid
CID 117478021
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid (CID 117363550) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)c2c1OCCO2.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid?
The InChIKey is MPQSGDAHQVXBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5/c11-6-2-1-5(7(12)10(13)14)8-9(6)16-4-3-15-8/h1-2,7,12H,3-4H2,(H,13,14).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid has a molecular weight of 244.63 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117363550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).