2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol

C11H14O2 — CID 54393265

IUPAC2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESOCC[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C11H14O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,12H,5-8H2/t10-/m0/s1
InChIKeyVIDWVCCCBOXZME-JTQLQIEISA-N
MW178.23 g/mol
LogP1.76
Rot. Bonds2

About 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol

2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol (PubChem CID 54393265) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
PubChem CID54393265
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESOCC[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C11H14O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,12H,5-8H2/t10-/m0/s1
InChIKeyVIDWVCCCBOXZME-JTQLQIEISA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol?
The IUPAC name of 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol (CID 54393265) is 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol is OCC[C@@H]1CCc2ccccc2O1.
What is the InChIKey of 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol?
The InChIKey is VIDWVCCCBOXZME-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,12H,5-8H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol?
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol has a molecular weight of 178.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol is sourced from PubChem (CID 54393265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).