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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Related Compounds

(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67581666
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
2,3,4,5-tetrahydro-1-benzoxepin-2-ol
CID 118271774
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243
2-(3,4-dihydro-2H-chromen-2-yl)ethyl 4-methylbenzenesulfonate
CID 14838443

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).