(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol

C13H12O3 — CID 168762985

IUPAC(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1Cc2ccccc2O[C@@H]1c1ccco1
InChIInChI=1S/C13H12O3/c14-10-8-9-4-1-2-5-11(9)16-13(10)12-6-3-7-15-12/h1-7,10,13-14H,8H2/t10-,13-/m0/s1
InChIKeyUSTPJYPUALCSPE-GWCFXTLKSA-N
MW216.24 g/mol
LogP2.32
Rot. Bonds1

About (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol

(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 168762985) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID168762985
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1Cc2ccccc2O[C@@H]1c1ccco1
InChIInChI=1S/C13H12O3/c14-10-8-9-4-1-2-5-11(9)16-13(10)12-6-3-7-15-12/h1-7,10,13-14H,8H2/t10-,13-/m0/s1
InChIKeyUSTPJYPUALCSPE-GWCFXTLKSA-N
XLogP2.32
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol (CID 168762985) is (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol is O[C@H]1Cc2ccccc2O[C@@H]1c1ccco1.
What is the InChIKey of (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is USTPJYPUALCSPE-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H12O3/c14-10-8-9-4-1-2-5-11(9)16-13(10)12-6-3-7-15-12/h1-7,10,13-14H,8H2/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol?
(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 216.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 168762985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).