1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one

C17H14F4O3 — CID 141151688

IUPAC1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
SMILESO=C(CCc1cc(F)c(O)c(F)c1)CCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H14F4O3/c18-12-5-9(6-13(19)16(12)23)1-3-11(22)4-2-10-7-14(20)17(24)15(21)8-10/h5-8,23-24H,1-4H2
InChIKeySCCKGMIGAKUDCG-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.79
Rot. Bonds6

About 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one

1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one (PubChem CID 141151688) has the molecular formula C17H14F4O3 and a molecular weight of 342.29 g/mol. Its IUPAC name is 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
PubChem CID141151688
Molecular FormulaC17H14F4O3
Molecular Weight342.29 g/mol
Exact Mass342.09
IUPAC Name1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
SMILESO=C(CCc1cc(F)c(O)c(F)c1)CCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H14F4O3/c18-12-5-9(6-13(19)16(12)23)1-3-11(22)4-2-10-7-14(20)17(24)15(21)8-10/h5-8,23-24H,1-4H2
InChIKeySCCKGMIGAKUDCG-UHFFFAOYSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
8-(3,5-difluoro-4-hydroxyphenyl)octanoic acid
CID 70316080
6-bromo-1-(3,4-difluorophenyl)hexan-3-one
CID 106798827
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
2-bromo-6-fluoro-4-propylphenol
CID 69428563
(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
CID 10488096
1-chloro-4-(3-fluoro-4-methylphenyl)butan-2-one
CID 134085975
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
CID 79891294
3-[3-(dimethylamino)-4,5-difluorophenyl]propanoic acid
CID 117114878
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one?
The IUPAC name of 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one (CID 141151688) is 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one is O=C(CCc1cc(F)c(O)c(F)c1)CCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one?
The InChIKey is SCCKGMIGAKUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4O3/c18-12-5-9(6-13(19)16(12)23)1-3-11(22)4-2-10-7-14(20)17(24)15(21)8-10/h5-8,23-24H,1-4H2.
What are the key properties of 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one?
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one has a molecular weight of 342.29 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 141151688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).