5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine

C10H9ClO2 — CID 64665956

IUPAC5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine
SMILESC=Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C10H9ClO2/c1-2-7-5-8(11)10-9(6-7)12-3-4-13-10/h2,5-6H,1,3-4H2
InChIKeyAJMCABJUDTVIBC-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.75
Rot. Bonds1

About 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine

5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 64665956) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine
PubChem CID64665956
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine
SMILESC=Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C10H9ClO2/c1-2-7-5-8(11)10-9(6-7)12-3-4-13-10/h2,5-6H,1,3-4H2
InChIKeyAJMCABJUDTVIBC-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-ol
CID 65418218
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoic acid
CID 6235455
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylidene]indene-1,3-dione
CID 9353065
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N',N'-dimethylprop-2-enehydrazide
CID 9180339
methyl N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]carbamate
CID 9143039
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78794635
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropylprop-2-enamide
CID 9427484
7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 74788146
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]guanidine
CID 73146438
3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dipropylprop-2-enamide
CID 76885865
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylidene]butan-1-ol
CID 79335776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine (CID 64665956) is 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine is C=Cc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AJMCABJUDTVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-2-7-5-8(11)10-9(6-7)12-3-4-13-10/h2,5-6H,1,3-4H2.
What are the key properties of 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine?
5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 196.63 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 64665956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).