1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one

C17H22O — CID 106656000

IUPAC1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1=CCCCCC1
InChIInChI=1S/C17H22O/c1-14-8-6-7-9-15(14)12-13-17(18)16-10-4-2-3-5-11-16/h6-10H,2-5,11-13H2,1H3
InChIKeyVJNFCICSWABJQD-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.39
Rot. Bonds4

About 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one

1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 106656000) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID106656000
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1=CCCCCC1
InChIInChI=1S/C17H22O/c1-14-8-6-7-9-15(14)12-13-17(18)16-10-4-2-3-5-11-16/h6-10H,2-5,11-13H2,1H3
InChIKeyVJNFCICSWABJQD-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 103449970
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one (CID 106656000) is 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is VJNFCICSWABJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-14-8-6-7-9-15(14)12-13-17(18)16-10-4-2-3-5-11-16/h6-10H,2-5,11-13H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one?
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 106656000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).