1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol

C15H13ClF2O2 — CID 82918483

IUPAC1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2O2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9,19H,8H2,1H3
InChIKeyAVFUIMXXDBIJGN-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol (PubChem CID 82918483) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
PubChem CID82918483
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2O2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9,19H,8H2,1H3
InChIKeyAVFUIMXXDBIJGN-UHFFFAOYSA-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

(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol (CID 82918483) is 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol is CC(O)c1cc(Cl)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is AVFUIMXXDBIJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]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 1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82918483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).