[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol

C21H18N2O3 — CID 175962363

IUPAC[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol
SMILESC=C1Oc2ccc(OCc3ccccc3)cc2C1c1nccc(CO)n1
InChIInChI=1S/C21H18N2O3/c1-14-20(21-22-10-9-16(12-24)23-21)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15/h2-11,20,24H,1,12-13H2
InChIKeyDXPUBCOQTGEMBX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.59
Rot. Bonds5

About [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol

[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol (PubChem CID 175962363) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol
PubChem CID175962363
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol
SMILESC=C1Oc2ccc(OCc3ccccc3)cc2C1c1nccc(CO)n1
InChIInChI=1S/C21H18N2O3/c1-14-20(21-22-10-9-16(12-24)23-21)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15/h2-11,20,24H,1,12-13H2
InChIKeyDXPUBCOQTGEMBX-UHFFFAOYSA-N
XLogP3.59
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol (CID 175962363) is [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol is C=C1Oc2ccc(OCc3ccccc3)cc2C1c1nccc(CO)n1.
What is the InChIKey of [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol?
The InChIKey is DXPUBCOQTGEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-20(21-22-10-9-16(12-24)23-21)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15/h2-11,20,24H,1,12-13H2.
What are the key properties of [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol?
[2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol has a molecular weight of 346.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylidene-5-phenylmethoxy-3H-1-benzofuran-3-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 175962363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).