1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone

C16H20O — CID 103451108

IUPAC1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1=CCC(C)CC1
InChIInChI=1S/C16H20O/c1-12-7-9-14(10-8-12)16(17)11-15-6-4-3-5-13(15)2/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyQNHIYDXDIGZSFM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone

1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 103451108) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID103451108
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1=CCC(C)CC1
InChIInChI=1S/C16H20O/c1-12-7-9-14(10-8-12)16(17)11-15-6-4-3-5-13(15)2/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyQNHIYDXDIGZSFM-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451060
3-methyl-1-(4-methylcyclohexen-1-yl)but-3-en-1-one
CID 103451253
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-methylphenyl)acetic acid
CID 67440217
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
1-(2,3-dihydrofuran-5-yl)-2-(2-methylphenyl)ethanone
CID 102650891
3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
CID 116558532
(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone
CID 103451094
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone (CID 103451108) is 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)C1=CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is QNHIYDXDIGZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-12-7-9-14(10-8-12)16(17)11-15-6-4-3-5-13(15)2/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 228.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 103451108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).