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

C15H14O2 — CID 6923720

IUPAC(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13-,15+/m1/s1
InChIKeyYTMFRMLVZQOBDR-HIFRSBDPSA-N
MW226.28 g/mol
LogP3.24
Rot. Bonds1

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

(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 6923720) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID6923720
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13-,15+/m1/s1
InChIKeyYTMFRMLVZQOBDR-HIFRSBDPSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 6923720) is (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YTMFRMLVZQOBDR-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 226.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 6923720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).