2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde

C17H18O — CID 175665650

IUPAC2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C(C)C)c2)cc1C=O
InChIInChI=1S/C17H18O/c1-12(2)14-5-4-6-15(9-14)16-8-7-13(3)17(10-16)11-18/h4-12H,1-3H3
InChIKeyUETPXILPLFDEJP-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.60
Rot. Bonds3

About 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde

2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde (PubChem CID 175665650) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
PubChem CID175665650
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C(C)C)c2)cc1C=O
InChIInChI=1S/C17H18O/c1-12(2)14-5-4-6-15(9-14)16-8-7-13(3)17(10-16)11-18/h4-12H,1-3H3
InChIKeyUETPXILPLFDEJP-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde?
The IUPAC name of 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde (CID 175665650) is 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde.
What is the SMILES notation for 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde?
The canonical SMILES for 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde is Cc1ccc(-c2cccc(C(C)C)c2)cc1C=O.
What is the InChIKey of 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde?
The InChIKey is UETPXILPLFDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)14-5-4-6-15(9-14)16-8-7-13(3)17(10-16)11-18/h4-12H,1-3H3.
What are the key properties of 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde?
2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde has a molecular weight of 238.33 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde is sourced from PubChem (CID 175665650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).