(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol

C15H14O2 — CID 7309334

IUPAC(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m1/s1
InChIKeyOEIJRRGCTVHYTH-HIFRSBDPSA-N
MW226.28 g/mol
LogP2.72
Rot. Bonds1

About (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol

(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 7309334) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID7309334
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m1/s1
InChIKeyOEIJRRGCTVHYTH-HIFRSBDPSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol (CID 7309334) is (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol is O[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is OEIJRRGCTVHYTH-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m1/s1.
What are the key properties of (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol?
(2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 226.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-phenyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 7309334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).