4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one

C16H20O2 — CID 116505390

IUPAC4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C16H20O2/c17-15-8-10-16(18,11-9-15)14-6-4-13(5-7-14)12-2-1-3-12/h4-7,12,18H,1-3,8-11H2
InChIKeyXRQRFYFJCGRCCA-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.28
Rot. Bonds2

About 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one

4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one (PubChem CID 116505390) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
PubChem CID116505390
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C16H20O2/c17-15-8-10-16(18,11-9-15)14-6-4-13(5-7-14)12-2-1-3-12/h4-7,12,18H,1-3,8-11H2
InChIKeyXRQRFYFJCGRCCA-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
CID 117341216
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
3-(4-cyclohexylphenyl)oxetan-3-ol
CID 116872960
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
CID 116505410
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one (CID 116505390) is 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(c2ccc(C3CCC3)cc2)CC1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one?
The InChIKey is XRQRFYFJCGRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15-8-10-16(18,11-9-15)14-6-4-13(5-7-14)12-2-1-3-12/h4-7,12,18H,1-3,8-11H2.
What are the key properties of 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one?
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 116505390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).