4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde

C12H10N2O3 — CID 18228221

IUPAC4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1ccnc(Oc2ccc(C=O)cc2)n1
InChIInChI=1S/C12H10N2O3/c1-16-11-6-7-13-12(14-11)17-10-4-2-9(8-15)3-5-10/h2-8H,1H3
InChIKeyQRCGFNRQQNYPBZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde

4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde (PubChem CID 18228221) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde
PubChem CID18228221
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1ccnc(Oc2ccc(C=O)cc2)n1
InChIInChI=1S/C12H10N2O3/c1-16-11-6-7-13-12(14-11)17-10-4-2-9(8-15)3-5-10/h2-8H,1H3
InChIKeyQRCGFNRQQNYPBZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde (CID 18228221) is 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde is COc1ccnc(Oc2ccc(C=O)cc2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde?
The InChIKey is QRCGFNRQQNYPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-11-6-7-13-12(14-11)17-10-4-2-9(8-15)3-5-10/h2-8H,1H3.
What are the key properties of 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde?
4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde has a molecular weight of 230.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)oxybenzaldehyde is sourced from PubChem (CID 18228221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).