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

C14H13ClFNO2 — CID 107719563

IUPAC1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCc2ccncc2Cl)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-9(18)12-3-2-11(6-14(12)16)19-8-10-4-5-17-7-13(10)15/h2-7,9,18H,8H2,1H3
InChIKeySHHDNVDNJXMZEV-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.51
Rot. Bonds4

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

1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107719563) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107719563
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCc2ccncc2Cl)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-9(18)12-3-2-11(6-14(12)16)19-8-10-4-5-17-7-13(10)15/h2-7,9,18H,8H2,1H3
InChIKeySHHDNVDNJXMZEV-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
CID 82001578
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol (CID 107719563) is 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol is CC(O)c1ccc(OCc2ccncc2Cl)cc1F.
What is the InChIKey of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is SHHDNVDNJXMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-9(18)12-3-2-11(6-14(12)16)19-8-10-4-5-17-7-13(10)15/h2-7,9,18H,8H2,1H3.
What are the key properties of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol?
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 281.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).