4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C11H15FO2 — CID 117287926

IUPAC4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(CF)ccc1O
InChIInChI=1S/C11H15FO2/c1-11(2,7-13)9-5-8(6-12)3-4-10(9)14/h3-5,13-14H,6-7H2,1-2H3
InChIKeyICGWVJQGHOVQTO-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.13
Rot. Bonds3

About 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol

4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 117287926) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID117287926
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(CF)ccc1O
InChIInChI=1S/C11H15FO2/c1-11(2,7-13)9-5-8(6-12)3-4-10(9)14/h3-5,13-14H,6-7H2,1-2H3
InChIKeyICGWVJQGHOVQTO-UHFFFAOYSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-hydroxyphenyl]methyl]phenol
CID 130251324
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 117287926) is 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1cc(CF)ccc1O.
What is the InChIKey of 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is ICGWVJQGHOVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-11(2,7-13)9-5-8(6-12)3-4-10(9)14/h3-5,13-14H,6-7H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 198.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 117287926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).