3,3-bis(4-methylphenyl)oxolan-2-one

C18H18O2 — CID 66730167

IUPAC3,3-bis(4-methylphenyl)oxolan-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCOC2=O)cc1
InChIInChI=1S/C18H18O2/c1-13-3-7-15(8-4-13)18(11-12-20-17(18)19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyVRYKZDBDHYVOHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.54
Rot. Bonds2

About 3,3-bis(4-methylphenyl)oxolan-2-one

3,3-bis(4-methylphenyl)oxolan-2-one (PubChem CID 66730167) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,3-bis(4-methylphenyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-bis(4-methylphenyl)oxolan-2-one
PubChem CID66730167
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3,3-bis(4-methylphenyl)oxolan-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCOC2=O)cc1
InChIInChI=1S/C18H18O2/c1-13-3-7-15(8-4-13)18(11-12-20-17(18)19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyVRYKZDBDHYVOHN-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methylphenyl)oxolan-2-one?
The IUPAC name of 3,3-bis(4-methylphenyl)oxolan-2-one (CID 66730167) is 3,3-bis(4-methylphenyl)oxolan-2-one.
What is the SMILES notation for 3,3-bis(4-methylphenyl)oxolan-2-one?
The canonical SMILES for 3,3-bis(4-methylphenyl)oxolan-2-one is Cc1ccc(C2(c3ccc(C)cc3)CCOC2=O)cc1.
What is the InChIKey of 3,3-bis(4-methylphenyl)oxolan-2-one?
The InChIKey is VRYKZDBDHYVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-3-7-15(8-4-13)18(11-12-20-17(18)19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 3,3-bis(4-methylphenyl)oxolan-2-one?
3,3-bis(4-methylphenyl)oxolan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methylphenyl)oxolan-2-one is sourced from PubChem (CID 66730167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).