[(1S,2S)-2-phenylcyclobutyl]methanol

C11H14O — CID 99991987

IUPAC[(1S,2S)-2-phenylcyclobutyl]methanol
SMILESOC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14O/c12-8-10-6-7-11(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1
InChIKeyXPEWLYMCTANANV-GHMZBOCLSA-N
MW162.23 g/mol
LogP2.17
Rot. Bonds2

About [(1S,2S)-2-phenylcyclobutyl]methanol

[(1S,2S)-2-phenylcyclobutyl]methanol (PubChem CID 99991987) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is [(1S,2S)-2-phenylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-phenylcyclobutyl]methanol
PubChem CID99991987
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name[(1S,2S)-2-phenylcyclobutyl]methanol
SMILESOC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14O/c12-8-10-6-7-11(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1
InChIKeyXPEWLYMCTANANV-GHMZBOCLSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
CID 123628380
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
cis-dimethyl (3S,4S)-3-(hydroxymethyl)-4-phenylcyclohexane-1,1-dicarboxylate
CID 102084735
2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
CID 129498083
2,2,2-trifluoro-1-[(3S,4S)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]ethanone
CID 59178499

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylcyclobutyl]methanol?
The IUPAC name of [(1S,2S)-2-phenylcyclobutyl]methanol (CID 99991987) is [(1S,2S)-2-phenylcyclobutyl]methanol.
What is the SMILES notation for [(1S,2S)-2-phenylcyclobutyl]methanol?
The canonical SMILES for [(1S,2S)-2-phenylcyclobutyl]methanol is OC[C@H]1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-2-phenylcyclobutyl]methanol?
The InChIKey is XPEWLYMCTANANV-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14O/c12-8-10-6-7-11(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1.
What are the key properties of [(1S,2S)-2-phenylcyclobutyl]methanol?
[(1S,2S)-2-phenylcyclobutyl]methanol has a molecular weight of 162.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylcyclobutyl]methanol is sourced from PubChem (CID 99991987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).