[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol

C19H17NO3 — CID 58401719

IUPAC[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol
SMILESCOc1ccc(-c2cc(Oc3ccccc3)ccn2)c(CO)c1
InChIInChI=1S/C19H17NO3/c1-22-16-7-8-18(14(11-16)13-21)19-12-17(9-10-20-19)23-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3
InChIKeyBEKRTIFQZWPFQK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.04
Rot. Bonds5

About [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol

[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol (PubChem CID 58401719) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol
PubChem CID58401719
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol
SMILESCOc1ccc(-c2cc(Oc3ccccc3)ccn2)c(CO)c1
InChIInChI=1S/C19H17NO3/c1-22-16-7-8-18(14(11-16)13-21)19-12-17(9-10-20-19)23-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3
InChIKeyBEKRTIFQZWPFQK-UHFFFAOYSA-N
XLogP4.04
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol (CID 58401719) is [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol is COc1ccc(-c2cc(Oc3ccccc3)ccn2)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol?
The InChIKey is BEKRTIFQZWPFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-16-7-8-18(14(11-16)13-21)19-12-17(9-10-20-19)23-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3.
What are the key properties of [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol?
[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol has a molecular weight of 307.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol is sourced from PubChem (CID 58401719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).