4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol

C16H26O3 — CID 139783783

IUPAC4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
SMILESCCC(CCCO)COc1cccc(CCCO)c1
InChIInChI=1S/C16H26O3/c1-2-14(7-4-10-17)13-19-16-9-3-6-15(12-16)8-5-11-18/h3,6,9,12,14,17-18H,2,4-5,7-8,10-11,13H2,1H3
InChIKeyGNUORFRHAPCVHB-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.79
Rot. Bonds10

About 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol

4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol (PubChem CID 139783783) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
PubChem CID139783783
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
SMILESCCC(CCCO)COc1cccc(CCCO)c1
InChIInChI=1S/C16H26O3/c1-2-14(7-4-10-17)13-19-16-9-3-6-15(12-16)8-5-11-18/h3,6,9,12,14,17-18H,2,4-5,7-8,10-11,13H2,1H3
InChIKeyGNUORFRHAPCVHB-UHFFFAOYSA-N
XLogP2.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
CID 14992307
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol?
The IUPAC name of 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol (CID 139783783) is 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol.
What is the SMILES notation for 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol?
The canonical SMILES for 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol is CCC(CCCO)COc1cccc(CCCO)c1.
What is the InChIKey of 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol?
The InChIKey is GNUORFRHAPCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-14(7-4-10-17)13-19-16-9-3-6-15(12-16)8-5-11-18/h3,6,9,12,14,17-18H,2,4-5,7-8,10-11,13H2,1H3.
What are the key properties of 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol?
4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol is sourced from PubChem (CID 139783783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).