2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde

C19H16N2O3 — CID 172649512

IUPAC2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde
SMILESCOc1ncc(-c2c(C=O)cccc2OCc2ccccc2)cn1
InChIInChI=1S/C19H16N2O3/c1-23-19-20-10-16(11-21-19)18-15(12-22)8-5-9-17(18)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyDMHYLKBYFWPMEA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde

2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde (PubChem CID 172649512) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde
PubChem CID172649512
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde
SMILESCOc1ncc(-c2c(C=O)cccc2OCc2ccccc2)cn1
InChIInChI=1S/C19H16N2O3/c1-23-19-20-10-16(11-21-19)18-15(12-22)8-5-9-17(18)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyDMHYLKBYFWPMEA-UHFFFAOYSA-N
XLogP3.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-[ethoxy(methoxy)methyl]-3-phenylmethoxybenzaldehyde
CID 176998146
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-benzylsulfanyl-3-methoxybenzaldehyde
CID 19384357
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde (CID 172649512) is 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde is COc1ncc(-c2c(C=O)cccc2OCc2ccccc2)cn1.
What is the InChIKey of 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde?
The InChIKey is DMHYLKBYFWPMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-23-19-20-10-16(11-21-19)18-15(12-22)8-5-9-17(18)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde?
2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde has a molecular weight of 320.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyrimidin-5-yl)-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172649512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).