2-(3-phenylcyclobutyl)ethanol

C12H16O — CID 132580222

IUPAC2-(3-phenylcyclobutyl)ethanol
SMILESOCCC1CC(c2ccccc2)C1
InChIInChI=1S/C12H16O/c13-7-6-10-8-12(9-10)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyXXGCELQQMFNHAB-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-phenylcyclobutyl)ethanol

2-(3-phenylcyclobutyl)ethanol (PubChem CID 132580222) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(3-phenylcyclobutyl)ethanol.

Molecular Properties

Compound Name2-(3-phenylcyclobutyl)ethanol
PubChem CID132580222
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(3-phenylcyclobutyl)ethanol
SMILESOCCC1CC(c2ccccc2)C1
InChIInChI=1S/C12H16O/c13-7-6-10-8-12(9-10)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyXXGCELQQMFNHAB-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenylcyclohexane-1,3-diol
CID 14135723
[3-(bromomethyl)cyclohexyl]benzene
CID 174846127
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
CID 79422596
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
CID 162654109
[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone
CID 67590524
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819
2-[(2R,4S,6R)-2-methyl-4,6-diphenylpiperidin-1-yl]ethanol
CID 11392285
2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol
CID 107706337
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylcyclobutyl)ethanol?
The IUPAC name of 2-(3-phenylcyclobutyl)ethanol (CID 132580222) is 2-(3-phenylcyclobutyl)ethanol.
What is the SMILES notation for 2-(3-phenylcyclobutyl)ethanol?
The canonical SMILES for 2-(3-phenylcyclobutyl)ethanol is OCCC1CC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylcyclobutyl)ethanol?
The InChIKey is XXGCELQQMFNHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-7-6-10-8-12(9-10)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2.
What are the key properties of 2-(3-phenylcyclobutyl)ethanol?
2-(3-phenylcyclobutyl)ethanol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylcyclobutyl)ethanol is sourced from PubChem (CID 132580222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).