ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine

C23H24O2 — CID 162436655

IUPACethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
SMILESCC.CC1Oc2ccccc2C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H18O2.C2H6/c1-16-22-20-15-9-8-14-19(20)21(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-16H,1H3;1-2H3
InChIKeyMRAHOEDSGGSFQN-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.76
Rot. Bonds2

About ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine

ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine (PubChem CID 162436655) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine.

Molecular Properties

Compound Nameethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
PubChem CID162436655
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Nameethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
SMILESCC.CC1Oc2ccccc2C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H18O2.C2H6/c1-16-22-20-15-9-8-14-19(20)21(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-16H,1H3;1-2H3
InChIKeyMRAHOEDSGGSFQN-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine?
The IUPAC name of ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine (CID 162436655) is ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine.
What is the SMILES notation for ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine?
The canonical SMILES for ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine is CC.CC1Oc2ccccc2C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine?
The InChIKey is MRAHOEDSGGSFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2.C2H6/c1-16-22-20-15-9-8-14-19(20)21(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-16H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine?
ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine has a molecular weight of 332.44 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine is sourced from PubChem (CID 162436655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).