2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol

C12H17FO3 — CID 163912251

IUPAC2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
SMILESCC(C)c1ccc(OCCOCO)c(F)c1
InChIInChI=1S/C12H17FO3/c1-9(2)10-3-4-12(11(13)7-10)16-6-5-15-8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQTDBXUFTEBYJRG-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.29
Rot. Bonds6

About 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol

2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol (PubChem CID 163912251) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
PubChem CID163912251
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
SMILESCC(C)c1ccc(OCCOCO)c(F)c1
InChIInChI=1S/C12H17FO3/c1-9(2)10-3-4-12(11(13)7-10)16-6-5-15-8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQTDBXUFTEBYJRG-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
CID 167865489
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol?
The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol (CID 163912251) is 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol?
The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol is CC(C)c1ccc(OCCOCO)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol?
The InChIKey is QTDBXUFTEBYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-9(2)10-3-4-12(11(13)7-10)16-6-5-15-8-14/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol?
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol has a molecular weight of 228.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol is sourced from PubChem (CID 163912251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).