(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C9H8Cl2O3 — CID 16563

IUPAC(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOCC1COc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C9H8Cl2O3/c10-6-1-8-9(2-7(6)11)14-5(3-12)4-13-8/h1-2,5,12H,3-4H2
InChIKeyYSKZPQPJOWLVSP-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.13
Rot. Bonds1

About (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 16563) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID16563
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOCC1COc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C9H8Cl2O3/c10-6-1-8-9(2-7(6)11)14-5(3-12)4-13-8/h1-2,5,12H,3-4H2
InChIKeyYSKZPQPJOWLVSP-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,7,8-Tetrachlorodibenzo-P-Dioxin
CID 15625
Chlorphenesin
CID 7697
2,3,7-Trichlorodibenzo(b,e)(1,4)dioxin
CID 36614
2,3-Dichlorodibenzo-p-dioxin
CID 34586
4,5-Dichloroguaiacol
CID 17160
4,5-Dichloroveratrole
CID 17713
(R)-chlorphenesin
CID 6918886
(2S)-3-(4-chlorophenoxy)propane-1,2-diol
CID 6927747
1,4-Benzodioxin, 6,7-dichloro-2-methyl-
CID 57709
Ethanol, 2-(N-(6(and 7)-chloro-1,4-benzodioxan-2-ylmethyl)-N-methylamino)-
CID 3063613
Propanol, 3-(6,7-dichloro-1,4-benzodioxan-2-yl)-
CID 3064368
Dibenzo(b,e)(1,4)dioxin, 2,3,7,8-tetra(chloro-37Cl)-
CID 158816

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 16563) is (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol is OCC1COc2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is YSKZPQPJOWLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c10-6-1-8-9(2-7(6)11)14-5(3-12)4-13-8/h1-2,5,12H,3-4H2.
What are the key properties of (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 235.07 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 16563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).