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

C14H11ClO2 — CID 102390074

IUPAC3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccc(C2COc3ccccc3O2)cc1
InChIInChI=1S/C14H11ClO2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14H,9H2
InChIKeyDMBFJBFUGDFBML-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.85
Rot. Bonds1

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

3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 102390074) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID102390074
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1ccc(C2COc3ccccc3O2)cc1
InChIInChI=1S/C14H11ClO2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14H,9H2
InChIKeyDMBFJBFUGDFBML-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
CID 10149192
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
1-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-4-methylsulfanylpiperidine
CID 129107711
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 20561733
1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 66547107
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350693
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 5399086
8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 78164155
N'-amino-1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carboximidamide
CID 154038971
4-[1-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]piperidin-4-yl]benzoic acid
CID 77137132
N-[1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide
CID 66547789

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine (CID 102390074) is 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine is Clc1ccc(C2COc3ccccc3O2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DMBFJBFUGDFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14H,9H2.
What are the key properties of 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine?
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 246.69 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 102390074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).