cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone

C16H20O — CID 103449982

IUPACcyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2=CCCCC2)cc1C
InChIInChI=1S/C16H20O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h7,9-10H,4-6,8H2,1-3H3
InChIKeyQIEQIQBDMOBZCF-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.29
Rot. Bonds2

About cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone

cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 103449982) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID103449982
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Namecyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2=CCCCC2)cc1C
InChIInChI=1S/C16H20O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h7,9-10H,4-6,8H2,1-3H3
InChIKeyQIEQIQBDMOBZCF-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
CID 62077963
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone (CID 103449982) is cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2=CCCCC2)cc1C.
What is the InChIKey of cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is QIEQIQBDMOBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone?
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 228.33 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 103449982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).