(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol

C15H13ClF2O2 — CID 103954698

IUPAC(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)12-6-5-11(17)7-14(12)20-8-10-3-2-4-13(18)15(10)16/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyMQYOKPBZIICIRY-VIFPVBQESA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol

(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 103954698) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
PubChem CID103954698
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)12-6-5-11(17)7-14(12)20-8-10-3-2-4-13(18)15(10)16/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyMQYOKPBZIICIRY-VIFPVBQESA-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

(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol (CID 103954698) is (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol is C[C@H](O)c1ccc(F)cc1OCc1cccc(F)c1Cl.
What is the InChIKey of (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is MQYOKPBZIICIRY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)12-6-5-11(17)7-14(12)20-8-10-3-2-4-13(18)15(10)16/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-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 (1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 103954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).