4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde

C22H20O2 — CID 101137305

IUPAC4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
SMILESCc1cc(OCc2ccccc2)cc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C22H20O2/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)20-10-8-18(14-23)9-11-20/h3-14H,15H2,1-2H3
InChIKeyKXLFFGWSUAQMLN-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.36
Rot. Bonds5

About 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde

4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde (PubChem CID 101137305) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
PubChem CID101137305
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
SMILESCc1cc(OCc2ccccc2)cc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C22H20O2/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)20-10-8-18(14-23)9-11-20/h3-14H,15H2,1-2H3
InChIKeyKXLFFGWSUAQMLN-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 172651308
3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
CID 101137302
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134287880
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde (CID 101137305) is 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde is Cc1cc(OCc2ccccc2)cc(C)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is KXLFFGWSUAQMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)20-10-8-18(14-23)9-11-20/h3-14H,15H2,1-2H3.
What are the key properties of 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde?
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 316.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 101137305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).