(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol

C12H16O2 — CID 100919670

IUPAC(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
SMILESCC(C)[C@]1(O)CO[C@H]1c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)12(13)8-14-11(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyXJKFNPXQJWICAT-NWDGAFQWSA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds2

About (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol

(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol (PubChem CID 100919670) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
PubChem CID100919670
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
SMILESCC(C)[C@]1(O)CO[C@H]1c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)12(13)8-14-11(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyXJKFNPXQJWICAT-NWDGAFQWSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
CID 10944376
(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
CID 135058548
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 11492874
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829
(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol
CID 160691753
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
CID 90206365
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
CID 10752411
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
[(3R,5S)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833097
[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833098

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol?
The IUPAC name of (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol (CID 100919670) is (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol.
What is the SMILES notation for (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol?
The canonical SMILES for (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol is CC(C)[C@]1(O)CO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol?
The InChIKey is XJKFNPXQJWICAT-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)12(13)8-14-11(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol?
(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol has a molecular weight of 192.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol is sourced from PubChem (CID 100919670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).