3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol

C13H16O2 — CID 164673385

IUPAC3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol
SMILESC=C(c1ccccc1)[C@@H](C)C1(O)COC1
InChIInChI=1S/C13H16O2/c1-10(12-6-4-3-5-7-12)11(2)13(14)8-15-9-13/h3-7,11,14H,1,8-9H2,2H3/t11-/m1/s1
InChIKeyCUTDTAQPVPFTIO-LLVKDONJSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds3

About 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol

3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol (PubChem CID 164673385) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol
PubChem CID164673385
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol
SMILESC=C(c1ccccc1)[C@@H](C)C1(O)COC1
InChIInChI=1S/C13H16O2/c1-10(12-6-4-3-5-7-12)11(2)13(14)8-15-9-13/h3-7,11,14H,1,8-9H2,2H3/t11-/m1/s1
InChIKeyCUTDTAQPVPFTIO-LLVKDONJSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-phenylbut-3-enal
CID 22151894
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
CID 101346509
3-methyl-4-phenylpent-4-en-2-one
CID 130028619
(1-bromo-2-phenylprop-2-enyl)-trimethylsilane
CID 15744273
3,3-dichloroprop-1-en-2-ylbenzene
CID 139684533
N-ethyl-3-phenylbut-3-en-2-amine
CID 11480759
9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958786
2-methyl-3-phenylbut-3-eneperoxoic acid
CID 22151063
1,2-diphenylprop-2-en-1-ol
CID 11586526
3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one
CID 132538424
1-phenylethenyl-tri(propan-2-yl)silane
CID 102241725
3-hydroperoxypent-1-en-2-ylbenzene
CID 155931439

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol?
The IUPAC name of 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol (CID 164673385) is 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol.
What is the SMILES notation for 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol is C=C(c1ccccc1)[C@@H](C)C1(O)COC1.
What is the InChIKey of 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol?
The InChIKey is CUTDTAQPVPFTIO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(12-6-4-3-5-7-12)11(2)13(14)8-15-9-13/h3-7,11,14H,1,8-9H2,2H3/t11-/m1/s1.
What are the key properties of 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol?
3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol has a molecular weight of 204.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-phenylbut-3-en-2-yl]oxetan-3-ol is sourced from PubChem (CID 164673385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).