(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone

C18H24O — CID 54759356

IUPAC(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
SMILESCCc1ccc(C(=O)C2=C(C)CCCC2(C)C)cc1
InChIInChI=1S/C18H24O/c1-5-14-8-10-15(11-9-14)17(19)16-13(2)7-6-12-18(16,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyNRLXMOSKAIRXIX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.96
Rot. Bonds3

About (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone

(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone (PubChem CID 54759356) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
PubChem CID54759356
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
SMILESCCc1ccc(C(=O)C2=C(C)CCCC2(C)C)cc1
InChIInChI=1S/C18H24O/c1-5-14-8-10-15(11-9-14)17(19)16-13(2)7-6-12-18(16,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyNRLXMOSKAIRXIX-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Vitamin K
CID 5280483
Menatetrenone
CID 5282367
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Celestolide
CID 61585
Tonalide
CID 89440
4-Ethylbenzaldehyde
CID 20861

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone (CID 54759356) is (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone is CCc1ccc(C(=O)C2=C(C)CCCC2(C)C)cc1.
What is the InChIKey of (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone?
The InChIKey is NRLXMOSKAIRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-5-14-8-10-15(11-9-14)17(19)16-13(2)7-6-12-18(16,3)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone?
(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone has a molecular weight of 256.39 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone is sourced from PubChem (CID 54759356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).