5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde

C22H20O2 — CID 172650078

IUPAC5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
SMILESCc1cc(C)cc(-c2ccc(OCc3ccccc3)c(C=O)c2)c1
InChIInChI=1S/C22H20O2/c1-16-10-17(2)12-20(11-16)19-8-9-22(21(13-19)14-23)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyKRXHXYCWZGULRQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.36
Rot. Bonds5

About 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde

5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde (PubChem CID 172650078) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
PubChem CID172650078
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
SMILESCc1cc(C)cc(-c2ccc(OCc3ccccc3)c(C=O)c2)c1
InChIInChI=1S/C22H20O2/c1-16-10-17(2)12-20(11-16)19-8-9-22(21(13-19)14-23)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyKRXHXYCWZGULRQ-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

5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
tert-butyl 4-(3-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183614
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
CID 172688033
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde (CID 172650078) is 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde is Cc1cc(C)cc(-c2ccc(OCc3ccccc3)c(C=O)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde?
The InChIKey is KRXHXYCWZGULRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16-10-17(2)12-20(11-16)19-8-9-22(21(13-19)14-23)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde?
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde 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 5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172650078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).