6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol

C13H18F2O3 — CID 107704167

IUPAC6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H18F2O3/c14-11-7-10(9-17)8-12(15)13(11)18-6-4-2-1-3-5-16/h7-8,16-17H,1-6,9H2
InChIKeyBACWOYLZAIGXOM-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.39
Rot. Bonds8

About 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol

6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol (PubChem CID 107704167) has the molecular formula C13H18F2O3 and a molecular weight of 260.28 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
PubChem CID107704167
Molecular FormulaC13H18F2O3
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H18F2O3/c14-11-7-10(9-17)8-12(15)13(11)18-6-4-2-1-3-5-16/h7-8,16-17H,1-6,9H2
InChIKeyBACWOYLZAIGXOM-UHFFFAOYSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
3,5-difluoro-4-(5-hydroxypentoxy)benzoic acid
CID 114216632
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 79887552
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
CID 79887877
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol (CID 107704167) is 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol is OCCCCCCOc1c(F)cc(CO)cc1F.
What is the InChIKey of 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol?
The InChIKey is BACWOYLZAIGXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O3/c14-11-7-10(9-17)8-12(15)13(11)18-6-4-2-1-3-5-16/h7-8,16-17H,1-6,9H2.
What are the key properties of 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol?
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol has a molecular weight of 260.28 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107704167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).