2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone

C19H26O — CID 103450386

IUPAC2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2=CCCCCC2)cc1
InChIInChI=1S/C19H26O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h8,10-13H,4-7,9,14H2,1-3H3
InChIKeyJBOVHDVBKWHVCJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone

2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone (PubChem CID 103450386) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
PubChem CID103450386
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2=CCCCCC2)cc1
InChIInChI=1S/C19H26O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h8,10-13H,4-7,9,14H2,1-3H3
InChIKeyJBOVHDVBKWHVCJ-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
CID 62080493
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 103450602
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 168896138
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone (CID 103450386) is 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone is CC(C)(C)c1ccc(CC(=O)C2=CCCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone?
The InChIKey is JBOVHDVBKWHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h8,10-13H,4-7,9,14H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone?
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone has a molecular weight of 270.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone is sourced from PubChem (CID 103450386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).