3-(2,2-diphenylethenyl)cyclohex-2-en-1-one

C20H18O — CID 10084734

IUPAC3-(2,2-diphenylethenyl)cyclohex-2-en-1-one
SMILESO=C1C=C(C=C(c2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C20H18O/c21-19-13-7-8-16(14-19)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2
InChIKeyFRYDJEBXRUBEFS-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.80
Rot. Bonds3

About 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one

3-(2,2-diphenylethenyl)cyclohex-2-en-1-one (PubChem CID 10084734) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,2-diphenylethenyl)cyclohex-2-en-1-one
PubChem CID10084734
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3-(2,2-diphenylethenyl)cyclohex-2-en-1-one
SMILESO=C1C=C(C=C(c2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C20H18O/c21-19-13-7-8-16(14-19)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2
InChIKeyFRYDJEBXRUBEFS-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one (CID 10084734) is 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one is O=C1C=C(C=C(c2ccccc2)c2ccccc2)CCC1.
What is the InChIKey of 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one?
The InChIKey is FRYDJEBXRUBEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c21-19-13-7-8-16(14-19)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2.
What are the key properties of 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one?
3-(2,2-diphenylethenyl)cyclohex-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 10084734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).