(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane

C17H18O3 — CID 154709342

IUPAC(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane
SMILESCCOCOc1ccccc1[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O3/c1-2-18-12-19-15-11-7-6-10-14(15)17-16(20-17)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyJZIZHVARBGYHME-IAGOWNOFSA-N
MW270.33 g/mol
LogP3.87
Rot. Bonds6

About (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane

(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane (PubChem CID 154709342) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane
PubChem CID154709342
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane
SMILESCCOCOc1ccccc1[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O3/c1-2-18-12-19-15-11-7-6-10-14(15)17-16(20-17)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyJZIZHVARBGYHME-IAGOWNOFSA-N
XLogP3.87
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane 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

2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
2-(2-iodophenyl)-3-phenyloxirane
CID 12728141
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran
CID 123410588
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
3-(ethoxymethoxy)-4-phenylthiophene
CID 172627115
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
ethoxybenzene;ethoxyethane
CID 67764259

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane?
The IUPAC name of (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane (CID 154709342) is (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane.
What is the SMILES notation for (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane?
The canonical SMILES for (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane is CCOCOc1ccccc1[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane?
The InChIKey is JZIZHVARBGYHME-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-18-12-19-15-11-7-6-10-14(15)17-16(20-17)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane?
(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane has a molecular weight of 270.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane is sourced from PubChem (CID 154709342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).