[3-(oxolan-2-ylmethoxy)phenyl]methanol

C12H16O3 — CID 43199011

IUPAC[3-(oxolan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C12H16O3/c13-8-10-3-1-4-11(7-10)15-9-12-5-2-6-14-12/h1,3-4,7,12-13H,2,5-6,8-9H2
InChIKeyWPOCXMLIIXJGNH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.74
Rot. Bonds4

About [3-(oxolan-2-ylmethoxy)phenyl]methanol

[3-(oxolan-2-ylmethoxy)phenyl]methanol (PubChem CID 43199011) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethoxy)phenyl]methanol
PubChem CID43199011
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[3-(oxolan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C12H16O3/c13-8-10-3-1-4-11(7-10)15-9-12-5-2-6-14-12/h1,3-4,7,12-13H,2,5-6,8-9H2
InChIKeyWPOCXMLIIXJGNH-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
CID 124802517
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
CID 26336282

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-(oxolan-2-ylmethoxy)phenyl]methanol (CID 43199011) is [3-(oxolan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-(oxolan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-(oxolan-2-ylmethoxy)phenyl]methanol is OCc1cccc(OCC2CCCO2)c1.
What is the InChIKey of [3-(oxolan-2-ylmethoxy)phenyl]methanol?
The InChIKey is WPOCXMLIIXJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-8-10-3-1-4-11(7-10)15-9-12-5-2-6-14-12/h1,3-4,7,12-13H,2,5-6,8-9H2.
What are the key properties of [3-(oxolan-2-ylmethoxy)phenyl]methanol?
[3-(oxolan-2-ylmethoxy)phenyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 43199011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).