2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde

C18H14N2O2 — CID 171037619

IUPAC2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cncnc2)c1OCc1ccccc1
InChIInChI=1S/C18H14N2O2/c21-11-15-7-4-8-17(16-9-19-13-20-10-16)18(15)22-12-14-5-2-1-3-6-14/h1-11,13H,12H2
InChIKeyWTMLPWXMNAEOAW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.54
Rot. Bonds5

About 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde

2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde (PubChem CID 171037619) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
PubChem CID171037619
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cncnc2)c1OCc1ccccc1
InChIInChI=1S/C18H14N2O2/c21-11-15-7-4-8-17(16-9-19-13-20-10-16)18(15)22-12-14-5-2-1-3-6-14/h1-11,13H,12H2
InChIKeyWTMLPWXMNAEOAW-UHFFFAOYSA-N
XLogP3.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde?
The IUPAC name of 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde (CID 171037619) is 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde?
The canonical SMILES for 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde is O=Cc1cccc(-c2cncnc2)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde?
The InChIKey is WTMLPWXMNAEOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-11-15-7-4-8-17(16-9-19-13-20-10-16)18(15)22-12-14-5-2-1-3-6-14/h1-11,13H,12H2.
What are the key properties of 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde?
2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde has a molecular weight of 290.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde is sourced from PubChem (CID 171037619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).