4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde

C23H22O3 — CID 161145970

IUPAC4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(C=O)cc1.Cc1ccc(COc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H14O2.C8H8O/c1-12-5-7-13(8-6-12)11-17-15-4-2-3-14(9-15)10-16;1-7-2-4-8(6-9)5-3-7/h2-10H,11H2,1H3;2-6H,1H3
InChIKeyUOAYVYNOVBAGJO-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.19
Rot. Bonds5

About 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde

4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde (PubChem CID 161145970) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
PubChem CID161145970
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(C=O)cc1.Cc1ccc(COc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H14O2.C8H8O/c1-12-5-7-13(8-6-12)11-17-15-4-2-3-14(9-15)10-16;1-7-2-4-8(6-9)5-3-7/h2-10H,11H2,1H3;2-6H,1H3
InChIKeyUOAYVYNOVBAGJO-UHFFFAOYSA-N
XLogP5.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.19
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

3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
3-[(4-hydroxy-3-methylsulfanylphenyl)methoxy]benzaldehyde
CID 88610962
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
3-[[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]methoxy]benzaldehyde
CID 123599558
2-amino-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2889992
4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 139661611
4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134287880
(2S)-2-amino-3-(3-formylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 118608048

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde (CID 161145970) is 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde is Cc1ccc(C=O)cc1.Cc1ccc(COc2cccc(C=O)c2)cc1.
What is the InChIKey of 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde?
The InChIKey is UOAYVYNOVBAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C8H8O/c1-12-5-7-13(8-6-12)11-17-15-4-2-3-14(9-15)10-16;1-7-2-4-8(6-9)5-3-7/h2-10H,11H2,1H3;2-6H,1H3.
What are the key properties of 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde?
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde has a molecular weight of 346.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 161145970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).