4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C10H12ClFO2 — CID 117311601

IUPAC4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C10H12ClFO2/c1-10(2,5-13)6-3-7(11)8(12)4-9(6)14/h3-4,13-14H,5H2,1-2H3
InChIKeyPFEBVCUVPSHNCM-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 117311601) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID117311601
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C10H12ClFO2/c1-10(2,5-13)6-3-7(11)8(12)4-9(6)14/h3-4,13-14H,5H2,1-2H3
InChIKeyPFEBVCUVPSHNCM-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

2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117287926
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 117311601) is 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is PFEBVCUVPSHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-10(2,5-13)6-3-7(11)8(12)4-9(6)14/h3-4,13-14H,5H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
4-chloro-5-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 4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 117311601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).