1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone

C18H26O2 — CID 103457627

IUPAC1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
SMILESCC(C)(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13/h9-13,16,19H,4-8H2,1-3H3
InChIKeyZTAKRTWEVVSKDX-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone

1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone (PubChem CID 103457627) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
PubChem CID103457627
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
SMILESCC(C)(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13/h9-13,16,19H,4-8H2,1-3H3
InChIKeyZTAKRTWEVVSKDX-UHFFFAOYSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
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2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
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1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
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CID 82101744
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
3-(4-tert-butylphenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455668
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1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone (CID 103457627) is 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone is CC(C)(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone?
The InChIKey is ZTAKRTWEVVSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13/h9-13,16,19H,4-8H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone?
1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone has a molecular weight of 274.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 103457627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).