3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one

C20H18O — CID 11841586

IUPAC3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccccc2)CC(/C=C/c2ccccc2)C1
InChIInChI=1S/C20H18O/c21-20-14-17(12-11-16-7-3-1-4-8-16)13-19(15-20)18-9-5-2-6-10-18/h1-12,15,17H,13-14H2/b12-11+
InChIKeyNIARZVSDSHNPGJ-VAWYXSNFSA-N
MW274.36 g/mol
LogP4.76
Rot. Bonds3

About 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one

3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one (PubChem CID 11841586) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
PubChem CID11841586
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccccc2)CC(/C=C/c2ccccc2)C1
InChIInChI=1S/C20H18O/c21-20-14-17(12-11-16-7-3-1-4-8-16)13-19(15-20)18-9-5-2-6-10-18/h1-12,15,17H,13-14H2/b12-11+
InChIKeyNIARZVSDSHNPGJ-VAWYXSNFSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The IUPAC name of 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one (CID 11841586) is 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one is O=C1C=C(c2ccccc2)CC(/C=C/c2ccccc2)C1.
What is the InChIKey of 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The InChIKey is NIARZVSDSHNPGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18O/c21-20-14-17(12-11-16-7-3-1-4-8-16)13-19(15-20)18-9-5-2-6-10-18/h1-12,15,17H,13-14H2/b12-11+.
What are the key properties of 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one is sourced from PubChem (CID 11841586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).