[1-(2-phenylethyl)cyclobutyl]methanol

C13H18O — CID 58979662

IUPAC[1-(2-phenylethyl)cyclobutyl]methanol
SMILESOCC1(CCc2ccccc2)CCC1
InChIInChI=1S/C13H18O/c14-11-13(8-4-9-13)10-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
InChIKeyRPYZJTPAFCSBGD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.78
Rot. Bonds4

About [1-(2-phenylethyl)cyclobutyl]methanol

[1-(2-phenylethyl)cyclobutyl]methanol (PubChem CID 58979662) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [1-(2-phenylethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2-phenylethyl)cyclobutyl]methanol
PubChem CID58979662
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[1-(2-phenylethyl)cyclobutyl]methanol
SMILESOCC1(CCc2ccccc2)CCC1
InChIInChI=1S/C13H18O/c14-11-13(8-4-9-13)10-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
InChIKeyRPYZJTPAFCSBGD-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
CID 154924786
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
CID 68829570
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)cyclobutyl]methanol?
The IUPAC name of [1-(2-phenylethyl)cyclobutyl]methanol (CID 58979662) is [1-(2-phenylethyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2-phenylethyl)cyclobutyl]methanol?
The canonical SMILES for [1-(2-phenylethyl)cyclobutyl]methanol is OCC1(CCc2ccccc2)CCC1.
What is the InChIKey of [1-(2-phenylethyl)cyclobutyl]methanol?
The InChIKey is RPYZJTPAFCSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c14-11-13(8-4-9-13)10-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2.
What are the key properties of [1-(2-phenylethyl)cyclobutyl]methanol?
[1-(2-phenylethyl)cyclobutyl]methanol has a molecular weight of 190.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)cyclobutyl]methanol is sourced from PubChem (CID 58979662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).