6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one

C16H23FO2 — CID 176969201

IUPAC6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one
SMILESCCCC(=O)CC(O)(CCC)c1ccc(F)c(C)c1
InChIInChI=1S/C16H23FO2/c1-4-6-14(18)11-16(19,9-5-2)13-7-8-15(17)12(3)10-13/h7-8,10,19H,4-6,9,11H2,1-3H3
InChIKeyJFZUKMUPWGTGEQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.88
Rot. Bonds7

About 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one

6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one (PubChem CID 176969201) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one
PubChem CID176969201
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one
SMILESCCCC(=O)CC(O)(CCC)c1ccc(F)c(C)c1
InChIInChI=1S/C16H23FO2/c1-4-6-14(18)11-16(19,9-5-2)13-7-8-15(17)12(3)10-13/h7-8,10,19H,4-6,9,11H2,1-3H3
InChIKeyJFZUKMUPWGTGEQ-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
1-(5-tert-butyl-2-fluorophenyl)butan-1-one
CID 83988546
4-(4-fluoro-3-phosphanylphenyl)octan-4-ol
CID 176969413
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one (CID 176969201) is 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one is CCCC(=O)CC(O)(CCC)c1ccc(F)c(C)c1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one?
The InChIKey is JFZUKMUPWGTGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-4-6-14(18)11-16(19,9-5-2)13-7-8-15(17)12(3)10-13/h7-8,10,19H,4-6,9,11H2,1-3H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one?
6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one has a molecular weight of 266.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-6-hydroxynonan-4-one is sourced from PubChem (CID 176969201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).