3-(2,3,4,5-tetramethylphenyl)benzaldehyde

C17H18O — CID 87595803

IUPAC3-(2,3,4,5-tetramethylphenyl)benzaldehyde
SMILESCc1cc(-c2cccc(C=O)c2)c(C)c(C)c1C
InChIInChI=1S/C17H18O/c1-11-8-17(14(4)13(3)12(11)2)16-7-5-6-15(9-16)10-18/h5-10H,1-4H3
InChIKeyOHDXLXGXKSCEPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.40
Rot. Bonds2

About 3-(2,3,4,5-tetramethylphenyl)benzaldehyde

3-(2,3,4,5-tetramethylphenyl)benzaldehyde (PubChem CID 87595803) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,3,4,5-tetramethylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(2,3,4,5-tetramethylphenyl)benzaldehyde
PubChem CID87595803
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-(2,3,4,5-tetramethylphenyl)benzaldehyde
SMILESCc1cc(-c2cccc(C=O)c2)c(C)c(C)c1C
InChIInChI=1S/C17H18O/c1-11-8-17(14(4)13(3)12(11)2)16-7-5-6-15(9-16)10-18/h5-10H,1-4H3
InChIKeyOHDXLXGXKSCEPQ-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3,4,5-tetramethylphenyl)aniline
CID 175481041
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
2-(3-formylphenyl)benzaldehyde
CID 57186210
3-[2-(3-methyl-2-pyridinyl)phenyl]benzaldehyde
CID 101484280
3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394
3-(5-methylpyrimidin-4-yl)benzaldehyde
CID 166845050
3-(2-iodo-3-methoxyphenyl)benzaldehyde
CID 11078259
3-[2-(dimethylamino)phenyl]benzaldehyde
CID 82107320
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
2-(3-formylphenyl)-4-methylbenzonitrile
CID 172915428
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetramethylphenyl)benzaldehyde?
The IUPAC name of 3-(2,3,4,5-tetramethylphenyl)benzaldehyde (CID 87595803) is 3-(2,3,4,5-tetramethylphenyl)benzaldehyde.
What is the SMILES notation for 3-(2,3,4,5-tetramethylphenyl)benzaldehyde?
The canonical SMILES for 3-(2,3,4,5-tetramethylphenyl)benzaldehyde is Cc1cc(-c2cccc(C=O)c2)c(C)c(C)c1C.
What is the InChIKey of 3-(2,3,4,5-tetramethylphenyl)benzaldehyde?
The InChIKey is OHDXLXGXKSCEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-11-8-17(14(4)13(3)12(11)2)16-7-5-6-15(9-16)10-18/h5-10H,1-4H3.
What are the key properties of 3-(2,3,4,5-tetramethylphenyl)benzaldehyde?
3-(2,3,4,5-tetramethylphenyl)benzaldehyde has a molecular weight of 238.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetramethylphenyl)benzaldehyde is sourced from PubChem (CID 87595803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).