3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol

C15H15FO2 — CID 90036441

IUPAC3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
SMILESCC(CO)c1ccc(-c2cccc(O)c2)c(F)c1
InChIInChI=1S/C15H15FO2/c1-10(9-17)11-5-6-14(15(16)8-11)12-3-2-4-13(18)7-12/h2-8,10,17-18H,9H2,1H3
InChIKeyAMBJFLKGEGFNKZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.29
Rot. Bonds3

About 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol

3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol (PubChem CID 90036441) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
PubChem CID90036441
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
SMILESCC(CO)c1ccc(-c2cccc(O)c2)c(F)c1
InChIInChI=1S/C15H15FO2/c1-10(9-17)11-5-6-14(15(16)8-11)12-3-2-4-13(18)7-12/h2-8,10,17-18H,9H2,1H3
InChIKeyAMBJFLKGEGFNKZ-UHFFFAOYSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
3-(2,4-difluorophenyl)phenol
CID 11356203
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
4-(3-ethylphenyl)-3-fluorophenol
CID 83130273
4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene
CID 101447551
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
CID 21413849
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol?
The IUPAC name of 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol (CID 90036441) is 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol.
What is the SMILES notation for 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol?
The canonical SMILES for 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol is CC(CO)c1ccc(-c2cccc(O)c2)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol?
The InChIKey is AMBJFLKGEGFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-10(9-17)11-5-6-14(15(16)8-11)12-3-2-4-13(18)7-12/h2-8,10,17-18H,9H2,1H3.
What are the key properties of 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol?
3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol has a molecular weight of 246.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol is sourced from PubChem (CID 90036441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).