[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol

C12H15ClO2 — CID 57142479

IUPAC[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol
SMILESC[C@H]1O[C@@](CO)(c2ccc(Cl)cc2)[C@H]1C
InChIInChI=1S/C12H15ClO2/c1-8-9(2)15-12(8,7-14)10-3-5-11(13)6-4-10/h3-6,8-9,14H,7H2,1-2H3/t8-,9+,12+/m0/s1
InChIKeyDIMZCKGAJMRIOJ-YGOYTEALSA-N
MW226.70 g/mol
LogP2.58
Rot. Bonds2

About [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol

[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol (PubChem CID 57142479) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol
PubChem CID57142479
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol
SMILESC[C@H]1O[C@@](CO)(c2ccc(Cl)cc2)[C@H]1C
InChIInChI=1S/C12H15ClO2/c1-8-9(2)15-12(8,7-14)10-3-5-11(13)6-4-10/h3-6,8-9,14H,7H2,1-2H3/t8-,9+,12+/m0/s1
InChIKeyDIMZCKGAJMRIOJ-YGOYTEALSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol?
The IUPAC name of [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol (CID 57142479) is [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol is C[C@H]1O[C@@](CO)(c2ccc(Cl)cc2)[C@H]1C.
What is the InChIKey of [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol?
The InChIKey is DIMZCKGAJMRIOJ-YGOYTEALSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-9(2)15-12(8,7-14)10-3-5-11(13)6-4-10/h3-6,8-9,14H,7H2,1-2H3/t8-,9+,12+/m0/s1.
What are the key properties of [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol?
[(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol has a molecular weight of 226.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2-(4-chlorophenyl)-3,4-dimethyloxetan-2-yl]methanol is sourced from PubChem (CID 57142479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).