4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol

C12H17FO2 — CID 142279599

IUPAC4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
SMILESCC[C@@H](O)CCCc1cc(F)ccc1O
InChIInChI=1S/C12H17FO2/c1-2-11(14)5-3-4-9-8-10(13)6-7-12(9)15/h6-8,11,14-15H,2-5H2,1H3/t11-/m1/s1
InChIKeyAWBHZDAIGONSRW-LLVKDONJSA-N
MW212.26 g/mol
LogP2.62
Rot. Bonds5

About 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol

4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol (PubChem CID 142279599) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
PubChem CID142279599
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
SMILESCC[C@@H](O)CCCc1cc(F)ccc1O
InChIInChI=1S/C12H17FO2/c1-2-11(14)5-3-4-9-8-10(13)6-7-12(9)15/h6-8,11,14-15H,2-5H2,1H3/t11-/m1/s1
InChIKeyAWBHZDAIGONSRW-LLVKDONJSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)heptan-4-ol
CID 64516046
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
6-(4-ethylphenyl)hexan-3-ol
CID 64514640
6-(2-methylphenyl)hexan-3-ol
CID 64514172
4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
CID 73102234
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol?
The IUPAC name of 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol (CID 142279599) is 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol?
The canonical SMILES for 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol is CC[C@@H](O)CCCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol?
The InChIKey is AWBHZDAIGONSRW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-11(14)5-3-4-9-8-10(13)6-7-12(9)15/h6-8,11,14-15H,2-5H2,1H3/t11-/m1/s1.
What are the key properties of 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol?
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol has a molecular weight of 212.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol is sourced from PubChem (CID 142279599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).