5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one

C20H20O — CID 142736509

IUPAC5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C20H20O/c1-20(2)13-17(15-9-5-3-6-10-15)19(18(21)14-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGTWIZKNFVNCICV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.99
Rot. Bonds2

About 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one

5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one (PubChem CID 142736509) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
PubChem CID142736509
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(c2ccccc2)=C(c2ccccc2)C1
InChIInChI=1S/C20H20O/c1-20(2)13-17(15-9-5-3-6-10-15)19(18(21)14-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGTWIZKNFVNCICV-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one (CID 142736509) is 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one is CC1(C)CC(=O)C(c2ccccc2)=C(c2ccccc2)C1.
What is the InChIKey of 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one?
The InChIKey is GTWIZKNFVNCICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-20(2)13-17(15-9-5-3-6-10-15)19(18(21)14-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one?
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 142736509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).