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

C11H14ClFO2 — CID 117337246

IUPAC4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H14ClFO2/c1-6-7(12)4-8(13)10(15)9(6)11(2,3)5-14/h4,14-15H,5H2,1-3H3
InChIKeyVBNZRSFOPWPFQC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol

4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (PubChem CID 117337246) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
PubChem CID117337246
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H14ClFO2/c1-6-7(12)4-8(13)10(15)9(6)11(2,3)5-14/h4,14-15H,5H2,1-3H3
InChIKeyVBNZRSFOPWPFQC-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
CID 166835677
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
2-(4-aminobutyl)-4-chloro-6-fluoro-3-methylphenol
CID 117335570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The IUPAC name of 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (CID 117337246) is 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.
What is the SMILES notation for 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The canonical SMILES for 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is Cc1c(Cl)cc(F)c(O)c1C(C)(C)CO.
What is the InChIKey of 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The InChIKey is VBNZRSFOPWPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-6-7(12)4-8(13)10(15)9(6)11(2,3)5-14/h4,14-15H,5H2,1-3H3.
What are the key properties of 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol has a molecular weight of 232.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is sourced from PubChem (CID 117337246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).