(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol

C15H15ClFNO2 — CID 115829228

IUPAC(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(17)14(12)16/h3-5,7-9,15,19H,2,6H2,1H3
InChIKeyOUPHURVVRKJEMS-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.74
Rot. Bonds5

About (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol

(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 115829228) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID115829228
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(17)14(12)16/h3-5,7-9,15,19H,2,6H2,1H3
InChIKeyOUPHURVVRKJEMS-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 104817389
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol (CID 115829228) is (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2cccc(F)c2Cl)c1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is OUPHURVVRKJEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(17)14(12)16/h3-5,7-9,15,19H,2,6H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol?
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 295.74 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).