6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine

C14H17ClO4 — CID 83949882

IUPAC6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCCCC1(c2cc3c(cc2Cl)OCCO3)OCCO1
InChIInChI=1S/C14H17ClO4/c1-2-3-14(18-6-7-19-14)10-8-12-13(9-11(10)15)17-5-4-16-12/h8-9H,2-7H2,1H3
InChIKeyZTYOQKJQYVSQTQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.11
Rot. Bonds3

About 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine

6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 83949882) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID83949882
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCCCC1(c2cc3c(cc2Cl)OCCO3)OCCO1
InChIInChI=1S/C14H17ClO4/c1-2-3-14(18-6-7-19-14)10-8-12-13(9-11(10)15)17-5-4-16-12/h8-9H,2-7H2,1H3
InChIKeyZTYOQKJQYVSQTQ-UHFFFAOYSA-N
XLogP3.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
CID 83958342
2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
CID 83957578
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83959353
7-(1-bromohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445012
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
ethyl 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117434344
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43497508
ethyl 1-(6-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylate
CID 105426487
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylsulfanylethanone
CID 82050861

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine (CID 83949882) is 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine is CCCC1(c2cc3c(cc2Cl)OCCO3)OCCO1.
What is the InChIKey of 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ZTYOQKJQYVSQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-2-3-14(18-6-7-19-14)10-8-12-13(9-11(10)15)17-5-4-16-12/h8-9H,2-7H2,1H3.
What are the key properties of 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 284.74 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 83949882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).