4-fluoro-2-(2-methylpentan-2-yl)phenol

C12H17FO — CID 87577772

IUPAC4-fluoro-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cc(F)ccc1O
InChIInChI=1S/C12H17FO/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8,14H,4,7H2,1-3H3
InChIKeyMGBXNXQFFKVHEA-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.61
Rot. Bonds3

About 4-fluoro-2-(2-methylpentan-2-yl)phenol

4-fluoro-2-(2-methylpentan-2-yl)phenol (PubChem CID 87577772) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(2-methylpentan-2-yl)phenol
PubChem CID87577772
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name4-fluoro-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cc(F)ccc1O
InChIInChI=1S/C12H17FO/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8,14H,4,7H2,1-3H3
InChIKeyMGBXNXQFFKVHEA-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174683734
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
CID 130673936
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
CID 139945833
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
CID 71344374
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylpentan-2-yl)phenol?
The IUPAC name of 4-fluoro-2-(2-methylpentan-2-yl)phenol (CID 87577772) is 4-fluoro-2-(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(2-methylpentan-2-yl)phenol?
The canonical SMILES for 4-fluoro-2-(2-methylpentan-2-yl)phenol is CCCC(C)(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-(2-methylpentan-2-yl)phenol?
The InChIKey is MGBXNXQFFKVHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of 4-fluoro-2-(2-methylpentan-2-yl)phenol?
4-fluoro-2-(2-methylpentan-2-yl)phenol has a molecular weight of 196.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 87577772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).