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

C13H18O4 — CID 43471574

IUPAC[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCC1CCCO1
InChIInChI=1S/C13H18O4/c1-15-12-6-2-4-10(8-14)13(12)17-9-11-5-3-7-16-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyQANCIBPIOIUTAS-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.75
Rot. Bonds5

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

[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol (PubChem CID 43471574) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
PubChem CID43471574
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCC1CCCO1
InChIInChI=1S/C13H18O4/c1-15-12-6-2-4-10(8-14)13(12)17-9-11-5-3-7-16-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyQANCIBPIOIUTAS-UHFFFAOYSA-N
XLogP1.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 54850191
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]heptan-1-amine
CID 54847644
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol (CID 43471574) is [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol is COc1cccc(CO)c1OCC1CCCO1.
What is the InChIKey of [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol?
The InChIKey is QANCIBPIOIUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-12-6-2-4-10(8-14)13(12)17-9-11-5-3-7-16-11/h2,4,6,11,14H,3,5,7-9H2,1H3.
What are the key properties of [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol?
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol has a molecular weight of 238.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 43471574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).