(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol

C14H13NO2 — CID 137460417

IUPAC(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol
SMILESOCC1OCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C14H13NO2/c16-8-14-12-3-1-2-11(13(12)9-17-14)10-4-6-15-7-5-10/h1-7,14,16H,8-9H2
InChIKeyNDJXTPOMCVNQIA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.31
Rot. Bonds2

About (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol

(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol (PubChem CID 137460417) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol.

Molecular Properties

Compound Name(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol
PubChem CID137460417
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol
SMILESOCC1OCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C14H13NO2/c16-8-14-12-3-1-2-11(13(12)9-17-14)10-4-6-15-7-5-10/h1-7,14,16H,8-9H2
InChIKeyNDJXTPOMCVNQIA-UHFFFAOYSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol?
The IUPAC name of (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol (CID 137460417) is (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol.
What is the SMILES notation for (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol?
The canonical SMILES for (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol is OCC1OCc2c(-c3ccncc3)cccc21.
What is the InChIKey of (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol?
The InChIKey is NDJXTPOMCVNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-8-14-12-3-1-2-11(13(12)9-17-14)10-4-6-15-7-5-10/h1-7,14,16H,8-9H2.
What are the key properties of (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol?
(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol has a molecular weight of 227.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol is sourced from PubChem (CID 137460417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).