(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol

C18H20O3 — CID 102281687

IUPAC(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
SMILESO[C@H](c1ccccc1)[C@@H]1O[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C18H20O3/c19-17(15-9-5-2-6-10-15)18-16(21-18)11-12-20-13-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-,18-/m1/s1
InChIKeyQPKYMBXXYZWXIO-KZNAEPCWSA-N
MW284.36 g/mol
LogP3.09
Rot. Bonds7

About (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol

(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol (PubChem CID 102281687) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
PubChem CID102281687
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
SMILESO[C@H](c1ccccc1)[C@@H]1O[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C18H20O3/c19-17(15-9-5-2-6-10-15)18-16(21-18)11-12-20-13-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-,18-/m1/s1
InChIKeyQPKYMBXXYZWXIO-KZNAEPCWSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-[(4R,5S)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]-phenylmethanol
CID 46918773
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol
CID 24854395
(3-pentadecyloxiran-2-yl)-phenylmethanol
CID 57004693
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
CID 11149422
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
(1R)-1-[(4R,5R)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 70675862
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
(3S,3aS,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434850
(3S,3aS,6aR)-2-[(S)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434851
methyl (2S,3R,6S)-3-methyl-2-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-6-carboxylate
CID 25258640

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol?
The IUPAC name of (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol (CID 102281687) is (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol?
The canonical SMILES for (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol is O[C@H](c1ccccc1)[C@@H]1O[C@@H]1CCOCc1ccccc1.
What is the InChIKey of (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol?
The InChIKey is QPKYMBXXYZWXIO-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H20O3/c19-17(15-9-5-2-6-10-15)18-16(21-18)11-12-20-13-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-,18-/m1/s1.
What are the key properties of (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol?
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 102281687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).