1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol

C14H20F2O2 — CID 83158841

IUPAC1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2O2/c1-10(2)6-5-8-12(17)11-7-3-4-9-13(11)18-14(15)16/h3-4,7,9-10,12,14,17H,5-6,8H2,1-2H3
InChIKeyQGWIUNJNWGAZNC-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.15
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol

1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol (PubChem CID 83158841) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
PubChem CID83158841
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2O2/c1-10(2)6-5-8-12(17)11-7-3-4-9-13(11)18-14(15)16/h3-4,7,9-10,12,14,17H,5-6,8H2,1-2H3
InChIKeyQGWIUNJNWGAZNC-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664
1-[2-(difluoromethoxy)phenyl]pent-4-yn-1-ol
CID 63894225
1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 65150759
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol (CID 83158841) is 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol is CC(C)CCCC(O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The InChIKey is QGWIUNJNWGAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-10(2)6-5-8-12(17)11-7-3-4-9-13(11)18-14(15)16/h3-4,7,9-10,12,14,17H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol is sourced from PubChem (CID 83158841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).