(6-chloro-4H-1,3-benzodioxin-8-yl)methanol

C9H9ClO3 — CID 16770161

IUPAC(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
SMILESOCc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C9H9ClO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
InChIKeyAUQHUFGUFBVONH-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.70
Rot. Bonds1

About (6-chloro-4H-1,3-benzodioxin-8-yl)methanol

(6-chloro-4H-1,3-benzodioxin-8-yl)methanol (PubChem CID 16770161) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (6-chloro-4H-1,3-benzodioxin-8-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
PubChem CID16770161
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
SMILESOCc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C9H9ClO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
InChIKeyAUQHUFGUFBVONH-UHFFFAOYSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]butan-1-ol
CID 66138360
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485502

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4H-1,3-benzodioxin-8-yl)methanol?
The IUPAC name of (6-chloro-4H-1,3-benzodioxin-8-yl)methanol (CID 16770161) is (6-chloro-4H-1,3-benzodioxin-8-yl)methanol.
What is the SMILES notation for (6-chloro-4H-1,3-benzodioxin-8-yl)methanol?
The canonical SMILES for (6-chloro-4H-1,3-benzodioxin-8-yl)methanol is OCc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of (6-chloro-4H-1,3-benzodioxin-8-yl)methanol?
The InChIKey is AUQHUFGUFBVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2.
What are the key properties of (6-chloro-4H-1,3-benzodioxin-8-yl)methanol?
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol has a molecular weight of 200.62 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4H-1,3-benzodioxin-8-yl)methanol is sourced from PubChem (CID 16770161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).