(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol

C16H18FNO2 — CID 115829147

IUPAC(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccc(C)cc2F)c1
InChIInChI=1S/C16H18FNO2/c1-3-6-20-13-8-12(9-18-10-13)16(19)14-5-4-11(2)7-15(14)17/h4-5,7-10,16,19H,3,6H2,1-2H3
InChIKeyYGYXPQAQIRQGKQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.40
Rot. Bonds5

About (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol

(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 115829147) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID115829147
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccc(C)cc2F)c1
InChIInChI=1S/C16H18FNO2/c1-3-6-20-13-8-12(9-18-10-13)16(19)14-5-4-11(2)7-15(14)17/h4-5,7-10,16,19H,3,6H2,1-2H3
InChIKeyYGYXPQAQIRQGKQ-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330079
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
(3-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115827523
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
[(4-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105217975
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
[(2,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330089
(2-fluoro-4-methylphenyl)-pyridin-4-ylmethanol
CID 23294400

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol (CID 115829147) is (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2ccc(C)cc2F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is YGYXPQAQIRQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-6-20-13-8-12(9-18-10-13)16(19)14-5-4-11(2)7-15(14)17/h4-5,7-10,16,19H,3,6H2,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol?
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 275.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).