7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine

C16H15ClO2 — CID 153023113

IUPAC7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(C)c1-c1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C16H15ClO2/c1-10-4-3-5-11(2)15(10)13-8-12(17)9-14-16(13)19-7-6-18-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyVCHYXDPIGGAQPS-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.40
Rot. Bonds1

About 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine

7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 153023113) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID153023113
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(C)c1-c1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C16H15ClO2/c1-10-4-3-5-11(2)15(10)13-8-12(17)9-14-16(13)19-7-6-18-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyVCHYXDPIGGAQPS-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine (CID 153023113) is 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine is Cc1cccc(C)c1-c1cc(Cl)cc2c1OCCO2.
What is the InChIKey of 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is VCHYXDPIGGAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-4-3-5-11(2)15(10)13-8-12(17)9-14-16(13)19-7-6-18-14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine?
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 274.75 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 153023113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).