3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol

C14H22O4 — CID 114494393

IUPAC3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1c(CO)cccc1OC
InChIInChI=1S/C14H22O4/c1-4-14(16,5-2)10-18-13-11(9-15)7-6-8-12(13)17-3/h6-8,15-16H,4-5,9-10H2,1-3H3
InChIKeyZCHYDEIBOOEUSG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.12
Rot. Bonds7

About 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol

3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol (PubChem CID 114494393) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
PubChem CID114494393
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1c(CO)cccc1OC
InChIInChI=1S/C14H22O4/c1-4-14(16,5-2)10-18-13-11(9-15)7-6-8-12(13)17-3/h6-8,15-16H,4-5,9-10H2,1-3H3
InChIKeyZCHYDEIBOOEUSG-UHFFFAOYSA-N
XLogP2.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-chloro-6-(hydroxymethyl)phenoxy]methyl]pentan-3-ol
CID 114494489
3-[2-(hydroxymethyl)-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79623918
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64567950
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol (CID 114494393) is 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1c(CO)cccc1OC.
What is the InChIKey of 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol?
The InChIKey is ZCHYDEIBOOEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-14(16,5-2)10-18-13-11(9-15)7-6-8-12(13)17-3/h6-8,15-16H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol?
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol has a molecular weight of 254.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114494393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).