4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde

C21H18O3 — CID 172879583

IUPAC4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-23-21-11-10-17(14-22)12-20(21)18-8-5-9-19(13-18)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyRPTDAYHGHMSHBB-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.75
Rot. Bonds6

About 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde

4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde (PubChem CID 172879583) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
PubChem CID172879583
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-23-21-11-10-17(14-22)12-20(21)18-8-5-9-19(13-18)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyRPTDAYHGHMSHBB-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'}

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Related Compounds

4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 166639003
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
3-methoxy-5-(3-methylsulfonylphenyl)-4-phenylmethoxybenzaldehyde
CID 176513470
4-benzylperoxy-3-methoxybenzaldehyde
CID 126613899
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
4-methoxy-3-[[5-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]-2-nitrophenyl]methoxy]benzaldehyde
CID 5255407

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde (CID 172879583) is 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde is COc1ccc(C=O)cc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is RPTDAYHGHMSHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-21-11-10-17(14-22)12-20(21)18-8-5-9-19(13-18)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde?
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde 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 4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 172879583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).