5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione

C15H16O2 — CID 67855248

IUPAC5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione
SMILESCC(C)C1(c2ccccc2)CC(=O)C=CC1=O
InChIInChI=1S/C15H16O2/c1-11(2)15(12-6-4-3-5-7-12)10-13(16)8-9-14(15)17/h3-9,11H,10H2,1-2H3
InChIKeyKVLAWDGYUAFKPF-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.68
Rot. Bonds2

About 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione

5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione (PubChem CID 67855248) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione
PubChem CID67855248
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione
SMILESCC(C)C1(c2ccccc2)CC(=O)C=CC1=O
InChIInChI=1S/C15H16O2/c1-11(2)15(12-6-4-3-5-7-12)10-13(16)8-9-14(15)17/h3-9,11H,10H2,1-2H3
InChIKeyKVLAWDGYUAFKPF-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione?
The IUPAC name of 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione (CID 67855248) is 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione is CC(C)C1(c2ccccc2)CC(=O)C=CC1=O.
What is the InChIKey of 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione?
The InChIKey is KVLAWDGYUAFKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(2)15(12-6-4-3-5-7-12)10-13(16)8-9-14(15)17/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione?
5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione has a molecular weight of 228.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-propan-2-ylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 67855248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).