3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C10H12ClFO2 — CID 117311600

IUPAC3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C10H12ClFO2/c1-10(2,5-13)8-6(11)3-4-7(12)9(8)14/h3-4,13-14H,5H2,1-2H3
InChIKeyLKAOAEIBGGGKHN-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.45
Rot. Bonds2

About 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 117311600) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID117311600
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C10H12ClFO2/c1-10(2,5-13)8-6(11)3-4-7(12)9(8)14/h3-4,13-14H,5H2,1-2H3
InChIKeyLKAOAEIBGGGKHN-UHFFFAOYSA-N
XLogP2.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
CID 117284763
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 117311600) is 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1c(Cl)ccc(F)c1O.
What is the InChIKey of 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is LKAOAEIBGGGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-10(2,5-13)8-6(11)3-4-7(12)9(8)14/h3-4,13-14H,5H2,1-2H3.
What are the key properties of 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 218.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 117311600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).