[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol

C17H18F2O2 — CID 63078112

IUPAC[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
SMILESCCC(C)c1ccccc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C17H18F2O2/c1-3-11(2)13-6-4-5-7-16(13)21-17-14(18)8-12(10-20)9-15(17)19/h4-9,11,20H,3,10H2,1-2H3
InChIKeyZNLLKDKJLRINND-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.76
Rot. Bonds5

About [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol

[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol (PubChem CID 63078112) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
PubChem CID63078112
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
SMILESCCC(C)c1ccccc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C17H18F2O2/c1-3-11(2)13-6-4-5-7-16(13)21-17-14(18)8-12(10-20)9-15(17)19/h4-9,11,20H,3,10H2,1-2H3
InChIKeyZNLLKDKJLRINND-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383274
(1R)-1-[2-(2-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 63534177
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
4-(2-butan-2-ylphenoxy)-3-fluorobenzenecarbothioamide
CID 43658062
3-(2-butan-2-ylphenoxy)-5-fluoroaniline
CID 80752812
[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693446
3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 114357978

Frequently Asked Questions

What is the IUPAC name of [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol (CID 63078112) is [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol is CCC(C)c1ccccc1Oc1c(F)cc(CO)cc1F.
What is the InChIKey of [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is ZNLLKDKJLRINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-3-11(2)13-6-4-5-7-16(13)21-17-14(18)8-12(10-20)9-15(17)19/h4-9,11,20H,3,10H2,1-2H3.
What are the key properties of [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 292.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63078112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).