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

C8H7ClO4 — CID 84671070

IUPAC4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
SMILESOCc1cc2c(c(Cl)c1O)OCO2
InChIInChI=1S/C8H7ClO4/c9-6-7(11)4(2-10)1-5-8(6)13-3-12-5/h1,10-11H,2-3H2
InChIKeyZAUCFMCTSAUXMV-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.27
Rot. Bonds1

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

4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol (PubChem CID 84671070) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
PubChem CID84671070
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
SMILESOCc1cc2c(c(Cl)c1O)OCO2
InChIInChI=1S/C8H7ClO4/c9-6-7(11)4(2-10)1-5-8(6)13-3-12-5/h1,10-11H,2-3H2
InChIKeyZAUCFMCTSAUXMV-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

4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938
6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
CID 117331311
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239
4-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)butanoic acid
CID 117400199
6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671071
7-(aminomethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84681333
5-chloro-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117363634
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
2-amino-2-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)acetic acid
CID 84705250
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
7-(2-aminooxyethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117366479
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The IUPAC name of 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol (CID 84671070) is 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol is OCc1cc2c(c(Cl)c1O)OCO2.
What is the InChIKey of 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol?
The InChIKey is ZAUCFMCTSAUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c9-6-7(11)4(2-10)1-5-8(6)13-3-12-5/h1,10-11H,2-3H2.
What are the key properties of 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol?
4-chloro-6-(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 4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 84671070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).