(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol

C18H20O3 — CID 10844263

IUPAC(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol
SMILESC[C@](O)(c1ccccc1)[C@@H]1O[C@H]1COCc1ccccc1
InChIInChI=1S/C18H20O3/c1-18(19,15-10-6-3-7-11-15)17-16(21-17)13-20-12-14-8-4-2-5-9-14/h2-11,16-17,19H,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyZPEVLGJZVQSNHF-KSZLIROESA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds6

About (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol

(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol (PubChem CID 10844263) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol
PubChem CID10844263
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol
SMILESC[C@](O)(c1ccccc1)[C@@H]1O[C@H]1COCc1ccccc1
InChIInChI=1S/C18H20O3/c1-18(19,15-10-6-3-7-11-15)17-16(21-17)13-20-12-14-8-4-2-5-9-14/h2-11,16-17,19H,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyZPEVLGJZVQSNHF-KSZLIROESA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Howiinol A
CID 6440329
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
(3-Phenyloxiranyl)methanol
CID 89553
1,1-Diphenylbutane-1,4-diol
CID 96679
Benzoin ethylene ketal
CID 243623
1,3-Bis(benzyloxy)propan-2-ol
CID 247614
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(4-methylphenyl)phenyl]oxane-3,4,5-triol
CID 9797582
(2S,3R,4R,5S,6R)-2-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 9798876
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-methylbenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
CID 9862956
(2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 9929398
(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 10125816
(5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)-4-oxaspiro[2.5]octane-6,7,8-triol
CID 46865788

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol (CID 10844263) is (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol is C[C@](O)(c1ccccc1)[C@@H]1O[C@H]1COCc1ccccc1.
What is the InChIKey of (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol?
The InChIKey is ZPEVLGJZVQSNHF-KSZLIROESA-N. The full InChI is InChI=1S/C18H20O3/c1-18(19,15-10-6-3-7-11-15)17-16(21-17)13-20-12-14-8-4-2-5-9-14/h2-11,16-17,19H,12-13H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol?
(1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 10844263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).