2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one

C22H22O — CID 627423

IUPAC2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H22O/c1-15-16(2)18(4)22(21(23)17(15)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKeyBKQLGHGWBMOYRR-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.23
Rot. Bonds2

About 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one

2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one (PubChem CID 627423) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
PubChem CID627423
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
SMILESCC1=C(C)C(C)=C(C)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H22O/c1-15-16(2)18(4)22(21(23)17(15)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKeyBKQLGHGWBMOYRR-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
CID 23266763
(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 101414822
4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
CID 10636315
4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
CID 10444794
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-2-en-1-one
CID 102499423
4-methoxy-2,3-dimethyl-4-phenylcyclohexa-2,5-dien-1-one
CID 134875005
disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
CID 23110850
1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 42636180
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
sodium 4,6-dioxo-5,5-diphenyl-1H-pyrimidin-2-olate
CID 23703797

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one (CID 627423) is 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one is CC1=C(C)C(C)=C(C)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one?
The InChIKey is BKQLGHGWBMOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-15-16(2)18(4)22(21(23)17(15)3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,1-4H3.
What are the key properties of 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one?
2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one has a molecular weight of 302.42 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 627423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).