[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone

C16H20O — CID 106651753

IUPAC[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)/C1=C/CCCCCC1
InChIInChI=1S/C16H20O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-10,12H,2-6,11H2,1H3/b14-10+
InChIKeyCUBOTTVRCQQANL-GXDHUFHOSA-N
MW228.34 g/mol
LogP4.46
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone

[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone (PubChem CID 106651753) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
PubChem CID106651753
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)/C1=C/CCCCCC1
InChIInChI=1S/C16H20O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-10,12H,2-6,11H2,1H3/b14-10+
InChIKeyCUBOTTVRCQQANL-GXDHUFHOSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 81481190
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
cyclohepten-1-yl-[2-(2-methoxyethoxy)phenyl]methanone
CID 103450486
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
CID 107096169

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone (CID 106651753) is [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone?
The InChIKey is CUBOTTVRCQQANL-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H20O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-10,12H,2-6,11H2,1H3/b14-10+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone?
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone has a molecular weight of 228.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 106651753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).