(3-methoxyphenyl)-pyridin-4-ylmethanol

C13H13NO2 — CID 12727034

IUPAC(3-methoxyphenyl)-pyridin-4-ylmethanol
SMILESCOc1cccc(C(O)c2ccncc2)c1
InChIInChI=1S/C13H13NO2/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10/h2-9,13,15H,1H3
InChIKeyNQSVTSGCCQLKHQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.17
Rot. Bonds3

About (3-methoxyphenyl)-pyridin-4-ylmethanol

(3-methoxyphenyl)-pyridin-4-ylmethanol (PubChem CID 12727034) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3-methoxyphenyl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-pyridin-4-ylmethanol
PubChem CID12727034
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3-methoxyphenyl)-pyridin-4-ylmethanol
SMILESCOc1cccc(C(O)c2ccncc2)c1
InChIInChI=1S/C13H13NO2/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10/h2-9,13,15H,1H3
InChIKeyNQSVTSGCCQLKHQ-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-pyridin-4-ylmethanol?
The IUPAC name of (3-methoxyphenyl)-pyridin-4-ylmethanol (CID 12727034) is (3-methoxyphenyl)-pyridin-4-ylmethanol.
What is the SMILES notation for (3-methoxyphenyl)-pyridin-4-ylmethanol?
The canonical SMILES for (3-methoxyphenyl)-pyridin-4-ylmethanol is COc1cccc(C(O)c2ccncc2)c1.
What is the InChIKey of (3-methoxyphenyl)-pyridin-4-ylmethanol?
The InChIKey is NQSVTSGCCQLKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10/h2-9,13,15H,1H3.
What are the key properties of (3-methoxyphenyl)-pyridin-4-ylmethanol?
(3-methoxyphenyl)-pyridin-4-ylmethanol has a molecular weight of 215.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-pyridin-4-ylmethanol is sourced from PubChem (CID 12727034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).