(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine

C9H9ClO2 — CID 736477

IUPAC(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
SMILESClC[C@H]1COc2ccccc2O1
InChIInChI=1S/C9H9ClO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyAYPKYQSHFKQVDL-ZETCQYMHSA-N
MW184.62 g/mol
LogP2.07
Rot. Bonds1

About (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine

(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 736477) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID736477
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
SMILESClC[C@H]1COc2ccccc2O1
InChIInChI=1S/C9H9ClO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2/t7-/m0/s1
InChIKeyAYPKYQSHFKQVDL-ZETCQYMHSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanesulfonyl chloride
CID 98488242
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
CID 7304761
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine
CID 150386089
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (CID 736477) is (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is ClC[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AYPKYQSHFKQVDL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2/t7-/m0/s1.
What are the key properties of (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 184.62 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 736477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).