(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

C16H12Cl2O4 — CID 3580698

IUPAC(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2O4/c17-11-2-1-3-13(16(11)18)22-15(19)9-10-4-5-12-14(8-10)21-7-6-20-12/h1-5,8H,6-7,9H2
InChIKeyIPBLJIAZRGTCEL-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.91
Rot. Bonds3

About (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (PubChem CID 3580698) has the molecular formula C16H12Cl2O4 and a molecular weight of 339.17 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
PubChem CID3580698
Molecular FormulaC16H12Cl2O4
Molecular Weight339.17 g/mol
Exact Mass338.01
IUPAC Name(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2O4/c17-11-2-1-3-13(16(11)18)22-15(19)9-10-4-5-12-14(8-10)21-7-6-20-12/h1-5,8H,6-7,9H2
InChIKeyIPBLJIAZRGTCEL-UHFFFAOYSA-N
XLogP3.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate
CID 86944057
(2-methoxy-4-methylphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 26239434
[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7931073
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8887742
2-oxopropyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324018
(4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7900912
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxybenzoate
CID 5214239
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 55491043
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324218
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371206
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8635247

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The IUPAC name of (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (CID 3580698) is (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.
What is the SMILES notation for (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The canonical SMILES for (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is O=C(Cc1ccc2c(c1)OCCO2)Oc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The InChIKey is IPBLJIAZRGTCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O4/c17-11-2-1-3-13(16(11)18)22-15(19)9-10-4-5-12-14(8-10)21-7-6-20-12/h1-5,8H,6-7,9H2.
What are the key properties of (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate has a molecular weight of 339.17 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is sourced from PubChem (CID 3580698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).