8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one

C19H16Cl2O2 — CID 45035162

IUPAC8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one
SMILESO=C1C2CCCOC2C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2O2/c20-14-7-3-12(4-8-14)19(13-5-9-15(21)10-6-13)17(22)16-2-1-11-23-18(16)19/h3-10,16,18H,1-2,11H2
InChIKeyWYWPNNFGOUKUMD-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.66
Rot. Bonds2

About 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one

8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one (PubChem CID 45035162) has the molecular formula C19H16Cl2O2 and a molecular weight of 347.24 g/mol. Its IUPAC name is 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one
PubChem CID45035162
Molecular FormulaC19H16Cl2O2
Molecular Weight347.24 g/mol
Exact Mass346.05
IUPAC Name8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one
SMILESO=C1C2CCCOC2C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2O2/c20-14-7-3-12(4-8-14)19(13-5-9-15(21)10-6-13)17(22)16-2-1-11-23-18(16)19/h3-10,16,18H,1-2,11H2
InChIKeyWYWPNNFGOUKUMD-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one?
The IUPAC name of 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one (CID 45035162) is 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one.
What is the SMILES notation for 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one?
The canonical SMILES for 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one is O=C1C2CCCOC2C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one?
The InChIKey is WYWPNNFGOUKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O2/c20-14-7-3-12(4-8-14)19(13-5-9-15(21)10-6-13)17(22)16-2-1-11-23-18(16)19/h3-10,16,18H,1-2,11H2.
What are the key properties of 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one?
8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one has a molecular weight of 347.24 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(4-chlorophenyl)-2-oxabicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 45035162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).