[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

C11H14O3 — CID 21293293

IUPAC[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1Cc2ccccc2OC1CO
InChIInChI=1S/C11H14O3/c12-6-9-5-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,9,11-13H,5-7H2
InChIKeyIKLCZCADZLBKET-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.59
Rot. Bonds2

About [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 21293293) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID21293293
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1Cc2ccccc2OC1CO
InChIInChI=1S/C11H14O3/c12-6-9-5-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,9,11-13H,5-7H2
InChIKeyIKLCZCADZLBKET-UHFFFAOYSA-N
XLogP0.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 67934594
(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol
CID 168763034
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 66363431
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (CID 21293293) is [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is OCC1Cc2ccccc2OC1CO.
What is the InChIKey of [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is IKLCZCADZLBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-6-9-5-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,9,11-13H,5-7H2.
What are the key properties of [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 194.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 21293293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).