(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene

C11H12O2 — CID 102531823

IUPAC(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CC[C@H]([C@@H]1CO1)O2
InChIInChI=1S/C11H12O2/c1-2-4-9-8(3-1)5-6-10(13-9)11-7-12-11/h1-4,10-11H,5-7H2/t10-,11+/m1/s1
InChIKeyVECXQFNJFMVRGT-MNOVXSKESA-N
MW176.22 g/mol
LogP1.78
Rot. Bonds1

About (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene

(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene (PubChem CID 102531823) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
PubChem CID102531823
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CC[C@H]([C@@H]1CO1)O2
InChIInChI=1S/C11H12O2/c1-2-4-9-8(3-1)5-6-10(13-9)11-7-12-11/h1-4,10-11H,5-7H2/t10-,11+/m1/s1
InChIKeyVECXQFNJFMVRGT-MNOVXSKESA-N
XLogP1.78
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
CID 175976158
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine
CID 142065588
2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
CID 91333420
2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
CID 57124320
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
CID 139962317
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
CID 87716136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene?
The IUPAC name of (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene (CID 102531823) is (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene is c1ccc2c(c1)CC[C@H]([C@@H]1CO1)O2.
What is the InChIKey of (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene?
The InChIKey is VECXQFNJFMVRGT-MNOVXSKESA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-9-8(3-1)5-6-10(13-9)11-7-12-11/h1-4,10-11H,5-7H2/t10-,11+/m1/s1.
What are the key properties of (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene?
(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene has a molecular weight of 176.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 102531823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).