(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol

C15H13ClF2O2 — CID 102616518

IUPAC(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyZLEMMCCXQIYCBA-SECBINFHSA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol

(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol (PubChem CID 102616518) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
PubChem CID102616518
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyZLEMMCCXQIYCBA-SECBINFHSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 102616497
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877123
(1S)-1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877125
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol (CID 102616518) is (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol?
The InChIKey is ZLEMMCCXQIYCBA-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(17)2-4-14(10)16/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol?
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol has a molecular weight of 298.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol is sourced from PubChem (CID 102616518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).