3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol

C11H14F2O3 — CID 121300790

IUPAC3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol
SMILESCc1ccc(OCCCO)c(OC(F)F)c1
InChIInChI=1S/C11H14F2O3/c1-8-3-4-9(15-6-2-5-14)10(7-8)16-11(12)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyQJSVGUJTVMVXNG-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.36
Rot. Bonds6

About 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol

3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol (PubChem CID 121300790) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol
PubChem CID121300790
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol
SMILESCc1ccc(OCCCO)c(OC(F)F)c1
InChIInChI=1S/C11H14F2O3/c1-8-3-4-9(15-6-2-5-14)10(7-8)16-11(12)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyQJSVGUJTVMVXNG-UHFFFAOYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
methyl 2-(3-hydroxypropoxy)-5-methylbenzoate
CID 110885047
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol?
The IUPAC name of 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol (CID 121300790) is 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol?
The canonical SMILES for 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol is Cc1ccc(OCCCO)c(OC(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol?
The InChIKey is QJSVGUJTVMVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-8-3-4-9(15-6-2-5-14)10(7-8)16-11(12)13/h3-4,7,11,14H,2,5-6H2,1H3.
What are the key properties of 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol?
3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol has a molecular weight of 232.23 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-4-methylphenoxy]propan-1-ol is sourced from PubChem (CID 121300790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).