2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one

C17H20O — CID 23266763

IUPAC2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H20O/c1-11-12(2)14(4)17(5,16(18)13(11)3)15-9-7-6-8-10-15/h6-10H,1-5H3
InChIKeyAIUWAPMLFXRFJN-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.20
Rot. Bonds1

About 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one

2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one (PubChem CID 23266763) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
PubChem CID23266763
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H20O/c1-11-12(2)14(4)17(5,16(18)13(11)3)15-9-7-6-8-10-15/h6-10H,1-5H3
InChIKeyAIUWAPMLFXRFJN-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
CID 627423
(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 101414822
9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene
CID 150900181
1-(2,3-dimethyl-3-phenylcyclopropen-1-yl)-2-methylbenzene
CID 144806190
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
CID 158336638
5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
CID 163644161
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
CID 10444794
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
CID 10636315
3,4-dimethyl-4-phenylcyclohexa-2,5-diene-1,1-dicarboxylic acid
CID 67688388
5-methyl-5-phenyl-2,3-diazabicyclo[5.3.1]undeca-1(10),7(11),8-triene-4,6-dione
CID 90688423

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one (CID 23266763) is 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one is CC1=C(C)C(C)=C(C)C(C)(c2ccccc2)C1=O.
What is the InChIKey of 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one?
The InChIKey is AIUWAPMLFXRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-11-12(2)14(4)17(5,16(18)13(11)3)15-9-7-6-8-10-15/h6-10H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one?
2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 23266763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).