5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine

C14H11ClO2 — CID 143319884

IUPAC5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccccc1-c1cccc2c1OCCO2
InChIInChI=1S/C14H11ClO2/c15-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-9-8-16-13/h1-7H,8-9H2
InChIKeyURNZEZIEHYDVFM-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.78
Rot. Bonds1

About 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine

5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 143319884) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID143319884
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccccc1-c1cccc2c1OCCO2
InChIInChI=1S/C14H11ClO2/c15-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-9-8-16-13/h1-7H,8-9H2
InChIKeyURNZEZIEHYDVFM-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine
CID 143319949
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43583497
2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 69258568
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)phenol
CID 22173803
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
N-[(2-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]ethanamine
CID 105099624
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine
CID 44616299
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 81374034

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine (CID 143319884) is 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine is Clc1ccccc1-c1cccc2c1OCCO2.
What is the InChIKey of 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is URNZEZIEHYDVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-12-6-2-1-4-10(12)11-5-3-7-13-14(11)17-9-8-16-13/h1-7H,8-9H2.
What are the key properties of 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 246.69 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 143319884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).