[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol

C18H16N2O3 — CID 135235744

IUPAC[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCOc1ccncc1-c1cccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C18H16N2O3/c1-22-17-8-10-19-11-16(17)15-3-2-9-20-18(15)23-14-6-4-13(12-21)5-7-14/h2-11,21H,12H2,1H3
InChIKeyYDAMRMCLXLUAEM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.44
Rot. Bonds5

About [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol

[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol (PubChem CID 135235744) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol
PubChem CID135235744
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCOc1ccncc1-c1cccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C18H16N2O3/c1-22-17-8-10-19-11-16(17)15-3-2-9-20-18(15)23-14-6-4-13(12-21)5-7-14/h2-11,21H,12H2,1H3
InChIKeyYDAMRMCLXLUAEM-UHFFFAOYSA-N
XLogP3.44
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol?
The IUPAC name of [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol (CID 135235744) is [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol.
What is the SMILES notation for [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol?
The canonical SMILES for [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol is COc1ccncc1-c1cccnc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol?
The InChIKey is YDAMRMCLXLUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-17-8-10-19-11-16(17)15-3-2-9-20-18(15)23-14-6-4-13(12-21)5-7-14/h2-11,21H,12H2,1H3.
What are the key properties of [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol?
[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol has a molecular weight of 308.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol is sourced from PubChem (CID 135235744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).