[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol

C15H15ClFNO2 — CID 116689764

IUPAC[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C15H15ClFNO2/c1-2-4-11-7-10(9-19)8-14(18-11)20-13-6-3-5-12(16)15(13)17/h3,5-8,19H,2,4,9H2,1H3
InChIKeyCDEXUOXDIFCZNI-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.11
Rot. Bonds5

About [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol

[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol (PubChem CID 116689764) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
PubChem CID116689764
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C15H15ClFNO2/c1-2-4-11-7-10(9-19)8-14(18-11)20-13-6-3-5-12(16)15(13)17/h3,5-8,19H,2,4,9H2,1H3
InChIKeyCDEXUOXDIFCZNI-UHFFFAOYSA-N
XLogP4.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
CID 116689772
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol?
The IUPAC name of [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol (CID 116689764) is [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol is CCCc1cc(CO)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol?
The InChIKey is CDEXUOXDIFCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-2-4-11-7-10(9-19)8-14(18-11)20-13-6-3-5-12(16)15(13)17/h3,5-8,19H,2,4,9H2,1H3.
What are the key properties of [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol?
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol has a molecular weight of 295.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol is sourced from PubChem (CID 116689764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).