2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde

C21H18O3 — CID 172993953

IUPAC2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1
InChIInChI=1S/C21H18O3/c1-23-18-12-10-17(11-13-18)19-8-5-9-21(20(19)14-22)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyPORKJIUAMZTFRU-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.75
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde

2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde (PubChem CID 172993953) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
PubChem CID172993953
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1
InChIInChI=1S/C21H18O3/c1-23-18-12-10-17(11-13-18)19-8-5-9-21(20(19)14-22)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyPORKJIUAMZTFRU-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde (CID 172993953) is 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde is COc1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde?
The InChIKey is PORKJIUAMZTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-18-12-10-17(11-13-18)19-8-5-9-21(20(19)14-22)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde?
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde has a molecular weight of 318.37 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172993953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).