butylcyclobutane;1-(2-hydroxyphenyl)ethanone

C16H24O2 — CID 67882317

IUPACbutylcyclobutane;1-(2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccccc1O.CCCCC1CCC1
InChIInChI=1S/C8H8O2.C8H16/c1-6(9)7-4-2-3-5-8(7)10;1-2-3-5-8-6-4-7-8/h2-5,10H,1H3;8H,2-7H2,1H3
InChIKeyOERLWDGMCRIMBE-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.57
Rot. Bonds4

About butylcyclobutane;1-(2-hydroxyphenyl)ethanone

butylcyclobutane;1-(2-hydroxyphenyl)ethanone (PubChem CID 67882317) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is butylcyclobutane;1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Namebutylcyclobutane;1-(2-hydroxyphenyl)ethanone
PubChem CID67882317
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namebutylcyclobutane;1-(2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccccc1O.CCCCC1CCC1
InChIInChI=1S/C8H8O2.C8H16/c1-6(9)7-4-2-3-5-8(7)10;1-2-3-5-8-6-4-7-8/h2-5,10H,1H3;8H,2-7H2,1H3
InChIKeyOERLWDGMCRIMBE-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze butylcyclobutane;1-(2-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-cyclohexylbutyl)phenyl]ethanone
CID 102374896
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
2-[(1S)-1-(4-butylcyclohexyl)ethoxy]carbonylbenzoic acid
CID 7311848
2-aminothiophene-3-carboxylic acid;butylcyclohexane
CID 22053855
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
2,3-dimethylphenol;octylcyclopentane
CID 145059039
docosane;2-hydroxybenzoic acid
CID 161423500
heptylcyclohexane;propan-2-one
CID 143570854
butane;butylcyclohexane;pentan-2-one
CID 142809149
ethane;hexane;2-hydroxybenzamide
CID 143703157
1-butoxybutane;2-hydroxybenzoic acid
CID 160692059

Frequently Asked Questions

What is the IUPAC name of butylcyclobutane;1-(2-hydroxyphenyl)ethanone?
The IUPAC name of butylcyclobutane;1-(2-hydroxyphenyl)ethanone (CID 67882317) is butylcyclobutane;1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for butylcyclobutane;1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for butylcyclobutane;1-(2-hydroxyphenyl)ethanone is CC(=O)c1ccccc1O.CCCCC1CCC1.
What is the InChIKey of butylcyclobutane;1-(2-hydroxyphenyl)ethanone?
The InChIKey is OERLWDGMCRIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C8H16/c1-6(9)7-4-2-3-5-8(7)10;1-2-3-5-8-6-4-7-8/h2-5,10H,1H3;8H,2-7H2,1H3.
What are the key properties of butylcyclobutane;1-(2-hydroxyphenyl)ethanone?
butylcyclobutane;1-(2-hydroxyphenyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclobutane;1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 67882317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).