1,3-benzodioxole;1,1'-biphenyl

C19H16O2 — CID 161120601

IUPAC1,3-benzodioxole;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)OCO2
InChIInChI=1S/C12H10.C7H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-7-6(3-1)8-5-9-7/h1-10H;1-4H,5H2
InChIKeyUKXAKXDOMDERBD-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.77
Rot. Bonds1

About 1,3-benzodioxole;1,1'-biphenyl

1,3-benzodioxole;1,1'-biphenyl (PubChem CID 161120601) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-benzodioxole;1,1'-biphenyl.

Molecular Properties

Compound Name1,3-benzodioxole;1,1'-biphenyl
PubChem CID161120601
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1,3-benzodioxole;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)OCO2
InChIInChI=1S/C12H10.C7H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-7-6(3-1)8-5-9-7/h1-10H;1-4H,5H2
InChIKeyUKXAKXDOMDERBD-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;1,1'-biphenyl?
The IUPAC name of 1,3-benzodioxole;1,1'-biphenyl (CID 161120601) is 1,3-benzodioxole;1,1'-biphenyl.
What is the SMILES notation for 1,3-benzodioxole;1,1'-biphenyl?
The canonical SMILES for 1,3-benzodioxole;1,1'-biphenyl is c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;1,1'-biphenyl?
The InChIKey is UKXAKXDOMDERBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-7-6(3-1)8-5-9-7/h1-10H;1-4H,5H2.
What are the key properties of 1,3-benzodioxole;1,1'-biphenyl?
1,3-benzodioxole;1,1'-biphenyl has a molecular weight of 276.34 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;1,1'-biphenyl is sourced from PubChem (CID 161120601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).