trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol

C13H18O — CID 101173351

IUPACtrans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
SMILESCCCC[C@]1(O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-9-13(14)10-12(13)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyLNGLGJDVXTYFRR-STQMWFEESA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds4

About trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol

trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol (PubChem CID 101173351) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
PubChem CID101173351
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
SMILESCCCC[C@]1(O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-9-13(14)10-12(13)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyLNGLGJDVXTYFRR-STQMWFEESA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
(2S,3R,4R,6S)-4-butyl-1-methyl-3-pentyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7329365
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
4-butyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol;2-hydroxy-2-oxoacetate
CID 44656486
[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
CID 102422403
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
1-butyl-3-phenylcyclobut-2-en-1-ol
CID 12059929
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
(2R,3S,4R,6R)-3-ethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 1230070
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588
(S)-[(1S,2S)-2-butyl-2-methylcyclopropyl]-phenylmethanol
CID 102318997

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol (CID 101173351) is trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol is CCCC[C@]1(O)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol?
The InChIKey is LNGLGJDVXTYFRR-STQMWFEESA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-9-13(14)10-12(13)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol?
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol is sourced from PubChem (CID 101173351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).