1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone

C23H28O — CID 67020685

IUPAC1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O/c1-15-7-9-17(10-8-15)19-13-18(16(2)24)14-20-21(19)23(5,6)12-11-22(20,3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyIZCQIWLSMFWFRR-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.21
Rot. Bonds2

About 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone

1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone (PubChem CID 67020685) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone
PubChem CID67020685
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O/c1-15-7-9-17(10-8-15)19-13-18(16(2)24)14-20-21(19)23(5,6)12-11-22(20,3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyIZCQIWLSMFWFRR-UHFFFAOYSA-N
XLogP6.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone (CID 67020685) is 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone is CC(=O)c1cc(-c2ccc(C)cc2)c2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone?
The InChIKey is IZCQIWLSMFWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-15-7-9-17(10-8-15)19-13-18(16(2)24)14-20-21(19)23(5,6)12-11-22(20,3)4/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone?
1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone has a molecular weight of 320.48 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 67020685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).