1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone

C18H24O — CID 10422561

IUPAC1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H24O/c1-13(19)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(2,3)4/h5-9,17H,10-12H2,1-4H3
InChIKeyIOVPJPSAVGMIEC-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.12
Rot. Bonds2

About 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone

1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone (PubChem CID 10422561) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
PubChem CID10422561
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H24O/c1-13(19)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(2,3)4/h5-9,17H,10-12H2,1-4H3
InChIKeyIOVPJPSAVGMIEC-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
N-[5-(4-tert-butylcyclohexen-1-yl)-1,3-benzothiazol-2-yl]acetamide
CID 173185653
4-tert-butyl-1-(cyclopenten-1-yl)cyclohexene
CID 102594765
1-[4-(2-hydroxy-3,6-dihydro-2H-pyran-4-yl)phenyl]ethanone
CID 10965984
(E)-3-(4-tert-butylcyclohexen-1-yl)-1-phenylbut-2-en-1-one
CID 122202804
1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
CID 139071014
CID 171375076
CID 171375076
1-[4-(1,1-dioxo-2,5-dihydrothiophen-3-yl)phenyl]ethanone
CID 112757744
(2R)-3-(4-butanoylphenyl)-2-[4-[(4R)-4-tert-butylcyclohexen-1-yl]phenyl]-N-[4-(2,4-dimethylphenyl)phenyl]propanamide
CID 159047289
2-[(4R)-4-tert-butylcyclohexen-1-yl]-3-chloronaphthalene-1,4-diol
CID 123742457
4-(4-formylcyclohexen-1-yl)-N-methylbenzamide
CID 144541584
methyl (E)-3-(4-tert-butylcyclohexen-1-yl)prop-2-enoate
CID 13449435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone (CID 10422561) is 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone is CC(=O)c1ccc(C2=CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone?
The InChIKey is IOVPJPSAVGMIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-13(19)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(2,3)4/h5-9,17H,10-12H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone?
1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone has a molecular weight of 256.39 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone is sourced from PubChem (CID 10422561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).