1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol

C15H13ClF2O2 — CID 107719703

IUPAC1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(17)2-5-14(10)16/h2-7,9,19H,8H2,1H3
InChIKeyWENHIWQNXVRRLS-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol

1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107719703) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107719703
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(17)2-5-14(10)16/h2-7,9,19H,8H2,1H3
InChIKeyWENHIWQNXVRRLS-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-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 102616497
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol (CID 107719703) is 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol is CC(O)c1ccc(OCc2cc(F)ccc2Cl)cc1F.
What is the InChIKey of 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is WENHIWQNXVRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(17)2-5-14(10)16/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-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 1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).