(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane

C16H16O3 — CID 11817711

IUPAC(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C16H16O3/c1-17-12-9-7-11(8-10-12)15-16(19-15)13-5-3-4-6-14(13)18-2/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyGTQHRQIMBYGCML-HZPDHXFCSA-N
MW256.30 g/mol
LogP3.52
Rot. Bonds4

About (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane

(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane (PubChem CID 11817711) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
PubChem CID11817711
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C16H16O3/c1-17-12-9-7-11(8-10-12)15-16(19-15)13-5-3-4-6-14(13)18-2/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyGTQHRQIMBYGCML-HZPDHXFCSA-N
XLogP3.52
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093397
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
CID 163070862
(2S,3S)-2-(3,5-dimethoxyphenyl)-3-phenyloxirane
CID 131844967
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
potassium (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 139621521
potassium (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 23702120
(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane
CID 154709342

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The IUPAC name of (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane (CID 11817711) is (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane.
What is the SMILES notation for (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The canonical SMILES for (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane is COc1ccc([C@H]2O[C@@H]2c2ccccc2OC)cc1.
What is the InChIKey of (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The InChIKey is GTQHRQIMBYGCML-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16O3/c1-17-12-9-7-11(8-10-12)15-16(19-15)13-5-3-4-6-14(13)18-2/h3-10,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane?
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane has a molecular weight of 256.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane is sourced from PubChem (CID 11817711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).