2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol

C17H18F2O2 — CID 12850912

IUPAC2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC[C@@H](c1ccc(O)c(F)c1)[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C17H18F2O2/c1-3-13(12-5-7-17(21)15(19)9-12)10(2)11-4-6-16(20)14(18)8-11/h4-10,13,20-21H,3H2,1-2H3/t10-,13-/m1/s1
InChIKeyRDVXUHOSYIBGBT-ZWNOBZJWSA-N
MW292.33 g/mol
LogP4.67
Rot. Bonds4

About 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol

2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol (PubChem CID 12850912) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
PubChem CID12850912
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC[C@@H](c1ccc(O)c(F)c1)[C@H](C)c1ccc(O)c(F)c1
InChIInChI=1S/C17H18F2O2/c1-3-13(12-5-7-17(21)15(19)9-12)10(2)11-4-6-16(20)14(18)8-11/h4-10,13,20-21H,3H2,1-2H3/t10-,13-/m1/s1
InChIKeyRDVXUHOSYIBGBT-ZWNOBZJWSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol (CID 12850912) is 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol is CC[C@@H](c1ccc(O)c(F)c1)[C@H](C)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The InChIKey is RDVXUHOSYIBGBT-ZWNOBZJWSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-3-13(12-5-7-17(21)15(19)9-12)10(2)11-4-6-16(20)14(18)8-11/h4-10,13,20-21H,3H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol has a molecular weight of 292.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2S,3R)-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol is sourced from PubChem (CID 12850912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).