(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol

C15H13F3O2 — CID 63366143

IUPAC(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1ccc(F)cc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyDJPOOUXCPNXRAV-VIFPVBQESA-N
MW282.26 g/mol
LogP3.74
Rot. Bonds4

About (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol

(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 63366143) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
PubChem CID63366143
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1ccc(F)cc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyDJPOOUXCPNXRAV-VIFPVBQESA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1S)-1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877125
1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877123
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol (CID 63366143) is (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol is C[C@H](O)c1ccc(F)cc1OCc1ccc(F)cc1F.
What is the InChIKey of (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is DJPOOUXCPNXRAV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9(19)13-5-4-12(17)7-15(13)20-8-10-2-3-11(16)6-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 282.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 63366143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).