2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol

C9H10F2O2 — CID 117280993

IUPAC2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H10F2O2/c1-9(2,13)7-5(10)3-4-6(12)8(7)11/h3-4,12-13H,1-2H3
InChIKeyBPAVVHGGCRCSEX-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.90
Rot. Bonds1

About 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol

2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol (PubChem CID 117280993) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
PubChem CID117280993
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H10F2O2/c1-9(2,13)7-5(10)3-4-6(12)8(7)11/h3-4,12-13H,1-2H3
InChIKeyBPAVVHGGCRCSEX-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluoro-3-hydroxyphenyl)-3-methylbutanoic acid
CID 117332086
3,4,6-trifluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117294409
4-fluoro-3-(2-hydroxypropan-2-yl)-5-methoxybenzene-1,2-diol
CID 117307825
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
2-ethyl-3,4-difluorophenol
CID 130218632
2,4-difluorobenzene-1,3-diol
CID 10844515
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
CID 84777631
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
2,4-difluoro-3-(methylamino)phenol
CID 18457325
6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol
CID 84699715

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol (CID 117280993) is 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol is CC(C)(O)c1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol?
The InChIKey is BPAVVHGGCRCSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-9(2,13)7-5(10)3-4-6(12)8(7)11/h3-4,12-13H,1-2H3.
What are the key properties of 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol?
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol has a molecular weight of 188.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 117280993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).