4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol

C10H13FO2 — CID 73102234

IUPAC4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
SMILESCC(CO)Cc1cc(F)ccc1O
InChIInChI=1S/C10H13FO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-3,5,7,12-13H,4,6H2,1H3
InChIKeyZZFCJLMRIFBJMJ-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.70
Rot. Bonds3

About 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol

4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol (PubChem CID 73102234) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
PubChem CID73102234
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
SMILESCC(CO)Cc1cc(F)ccc1O
InChIInChI=1S/C10H13FO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-3,5,7,12-13H,4,6H2,1H3
InChIKeyZZFCJLMRIFBJMJ-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
CID 130612651
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 102604918
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol?
The IUPAC name of 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol (CID 73102234) is 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol.
What is the SMILES notation for 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol?
The canonical SMILES for 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol is CC(CO)Cc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol?
The InChIKey is ZZFCJLMRIFBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-3,5,7,12-13H,4,6H2,1H3.
What are the key properties of 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol?
4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol has a molecular weight of 184.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol is sourced from PubChem (CID 73102234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).