(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol

C16H16O2 — CID 134931163

IUPAC(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
SMILESC[C@H]1O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O2/c1-12-16(18-12,14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15,17H,1H3/t12-,15-,16+/m1/s1
InChIKeyQYRMNPSTKPGKKG-WQVCFCJDSA-N
MW240.30 g/mol
LogP3.03
Rot. Bonds3

About (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol

(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol (PubChem CID 134931163) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
PubChem CID134931163
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
SMILESC[C@H]1O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16O2/c1-12-16(18-12,14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15,17H,1H3/t12-,15-,16+/m1/s1
InChIKeyQYRMNPSTKPGKKG-WQVCFCJDSA-N
XLogP3.03
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(R)-[(2S,3S)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134930519
phenyl-(3-phenyloxaziridin-3-yl)methanol
CID 88777993
[(2R,3S)-2,3-dimethyl-1-trimethylsilylcyclopropyl]-phenylmethanol
CID 101172105
(S)-[(3R,4S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]-phenylmethanol
CID 101407270
(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
CID 59444461
(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
CID 129360239
phenyl-(2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl)methanol
CID 56690735
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
(2S)-2-tert-butyl-5-[hydroxy(phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one
CID 101350296
(R)-[(1S)-2,2-diphenyl-1-trimethylsilylcyclopropyl]-phenylmethanol
CID 99771519
(1S)-1-phenylethanol
CID 157125626
(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol
CID 134204982

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol (CID 134931163) is (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol is C[C@H]1O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol?
The InChIKey is QYRMNPSTKPGKKG-WQVCFCJDSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-16(18-12,14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,15,17H,1H3/t12-,15-,16+/m1/s1.
What are the key properties of (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol?
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol has a molecular weight of 240.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol is sourced from PubChem (CID 134931163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).