[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol

C17H19FO2 — CID 106530139

IUPAC[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
SMILESCCC(C)c1ccccc1Oc1cc(F)cc(CO)c1
InChIInChI=1S/C17H19FO2/c1-3-12(2)16-6-4-5-7-17(16)20-15-9-13(11-19)8-14(18)10-15/h4-10,12,19H,3,11H2,1-2H3
InChIKeyCQDOJBJJGVAJIV-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.62
Rot. Bonds5

About [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol

[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol (PubChem CID 106530139) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
PubChem CID106530139
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
SMILESCCC(C)c1ccccc1Oc1cc(F)cc(CO)c1
InChIInChI=1S/C17H19FO2/c1-3-12(2)16-6-4-5-7-17(16)20-15-9-13(11-19)8-14(18)10-15/h4-10,12,19H,3,11H2,1-2H3
InChIKeyCQDOJBJJGVAJIV-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
3-(2-butan-2-ylphenoxy)-5-fluoroaniline
CID 80752812
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383274
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
CID 106530101

Frequently Asked Questions

What is the IUPAC name of [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol (CID 106530139) is [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol is CCC(C)c1ccccc1Oc1cc(F)cc(CO)c1.
What is the InChIKey of [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol?
The InChIKey is CQDOJBJJGVAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-3-12(2)16-6-4-5-7-17(16)20-15-9-13(11-19)8-14(18)10-15/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol?
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol has a molecular weight of 274.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 106530139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).