6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol

C8H7ClO4 — CID 84671071

IUPAC6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol
SMILESOCc1c(O)c(Cl)cc2c1OCO2
InChIInChI=1S/C8H7ClO4/c9-5-1-6-8(13-3-12-6)4(2-10)7(5)11/h1,10-11H,2-3H2
InChIKeyUKYBYWMLAPXFOQ-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.27
Rot. Bonds1

About 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol

6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol (PubChem CID 84671071) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol
PubChem CID84671071
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol
SMILESOCc1c(O)c(Cl)cc2c1OCO2
InChIInChI=1S/C8H7ClO4/c9-5-1-6-8(13-3-12-6)4(2-10)7(5)11/h1,10-11H,2-3H2
InChIKeyUKYBYWMLAPXFOQ-UHFFFAOYSA-N
XLogP1.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-5-hydroxy-1,3-benzodioxol-4-yl)acetonitrile
CID 84781934
6-chloro-4-[(methoxyamino)methyl]-1,3-benzodioxol-5-ol
CID 117335285
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070
6-fluoro-7-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 117280329
8-chloro-6-(3-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117400373
4-(2-aminopropan-2-yl)-6-chloro-1,3-benzodioxol-5-ol
CID 117331402
4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938
N-[(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117313514
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
2-[(7-chloro-1,3-benzodioxol-5-yl)-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 71827313
6-chloro-4-(1-isocyanatocyclopropyl)-1,3-benzodioxol-5-ol
CID 117386890
(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
CID 117289027

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The IUPAC name of 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol (CID 84671071) is 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol is OCc1c(O)c(Cl)cc2c1OCO2.
What is the InChIKey of 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The InChIKey is UKYBYWMLAPXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c9-5-1-6-8(13-3-12-6)4(2-10)7(5)11/h1,10-11H,2-3H2.
What are the key properties of 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol?
6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol has a molecular weight of 202.59 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 84671071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).