4-(2,3-difluorobutoxy)phenol

C10H12F2O2 — CID 67187369

IUPAC4-(2,3-difluorobutoxy)phenol
SMILESCC(F)C(F)COc1ccc(O)cc1
InChIInChI=1S/C10H12F2O2/c1-7(11)10(12)6-14-9-4-2-8(13)3-5-9/h2-5,7,10,13H,6H2,1H3
InChIKeyIMMHMSJSTFJYIT-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.47
Rot. Bonds4

About 4-(2,3-difluorobutoxy)phenol

4-(2,3-difluorobutoxy)phenol (PubChem CID 67187369) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-(2,3-difluorobutoxy)phenol.

Molecular Properties

Compound Name4-(2,3-difluorobutoxy)phenol
PubChem CID67187369
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name4-(2,3-difluorobutoxy)phenol
SMILESCC(F)C(F)COc1ccc(O)cc1
InChIInChI=1S/C10H12F2O2/c1-7(11)10(12)6-14-9-4-2-8(13)3-5-9/h2-5,7,10,13H,6H2,1H3
InChIKeyIMMHMSJSTFJYIT-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluorobutoxybenzene
CID 53412752
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
4-(2-fluorooctoxy)phenol
CID 14401559
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorobutoxy)phenol?
The IUPAC name of 4-(2,3-difluorobutoxy)phenol (CID 67187369) is 4-(2,3-difluorobutoxy)phenol.
What is the SMILES notation for 4-(2,3-difluorobutoxy)phenol?
The canonical SMILES for 4-(2,3-difluorobutoxy)phenol is CC(F)C(F)COc1ccc(O)cc1.
What is the InChIKey of 4-(2,3-difluorobutoxy)phenol?
The InChIKey is IMMHMSJSTFJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-7(11)10(12)6-14-9-4-2-8(13)3-5-9/h2-5,7,10,13H,6H2,1H3.
What are the key properties of 4-(2,3-difluorobutoxy)phenol?
4-(2,3-difluorobutoxy)phenol has a molecular weight of 202.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorobutoxy)phenol is sourced from PubChem (CID 67187369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).