(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol

C15H14F2O2 — CID 82918200

IUPAC(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2O2/c1-10(18)12-4-2-3-5-15(12)19-9-11-6-7-13(16)14(17)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyHLFGWLWIZYRNSC-JTQLQIEISA-N
MW264.27 g/mol
LogP3.60
Rot. Bonds4

About (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol

(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol (PubChem CID 82918200) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
PubChem CID82918200
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2O2/c1-10(18)12-4-2-3-5-15(12)19-9-11-6-7-13(16)14(17)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyHLFGWLWIZYRNSC-JTQLQIEISA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol (CID 82918200) is (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1ccccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is HLFGWLWIZYRNSC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F2O2/c1-10(18)12-4-2-3-5-15(12)19-9-11-6-7-13(16)14(17)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 264.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82918200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).