6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol

C17H26O4 — CID 70836225

IUPAC6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C17H26O4/c18-12-4-1-2-5-13-19-15-8-10-16(11-9-15)21-17-7-3-6-14-20-17/h8-11,17-18H,1-7,12-14H2
InChIKeyQIQGATNHAAEKHC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.52
Rot. Bonds9

About 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol

6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol (PubChem CID 70836225) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
PubChem CID70836225
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C17H26O4/c18-12-4-1-2-5-13-19-15-8-10-16(11-9-15)21-17-7-3-6-14-20-17/h8-11,17-18H,1-7,12-14H2
InChIKeyQIQGATNHAAEKHC-UHFFFAOYSA-N
XLogP3.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
CID 168763543
CID 168763543
4-[(1S)-4-hydroxy-1-[4-[(2S)-oxan-2-yl]oxyphenoxy]butyl]benzonitrile
CID 129386640
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
CID 143834486
CID 143834486
2-[6-(4-ethynylphenoxy)hexoxy]oxane
CID 22709077
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol (CID 70836225) is 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol is OCCCCCCOc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol?
The InChIKey is QIQGATNHAAEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c18-12-4-1-2-5-13-19-15-8-10-16(11-9-15)21-17-7-3-6-14-20-17/h8-11,17-18H,1-7,12-14H2.
What are the key properties of 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol?
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol is sourced from PubChem (CID 70836225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).