5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

C18H20O2 — CID 63529851

IUPAC5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(OCc2ccc(C(C)C)cc2)c(C=O)c1
InChIInChI=1S/C18H20O2/c1-13(2)16-7-5-15(6-8-16)12-20-18-9-4-14(3)10-17(18)11-19/h4-11,13H,12H2,1-3H3
InChIKeyVJPFGVPUDWVKJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.51
Rot. Bonds5

About 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (PubChem CID 63529851) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
PubChem CID63529851
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(OCc2ccc(C(C)C)cc2)c(C=O)c1
InChIInChI=1S/C18H20O2/c1-13(2)16-7-5-15(6-8-16)12-20-18-9-4-14(3)10-17(18)11-19/h4-11,13H,12H2,1-3H3
InChIKeyVJPFGVPUDWVKJH-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (CID 63529851) is 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is Cc1ccc(OCc2ccc(C(C)C)cc2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The InChIKey is VJPFGVPUDWVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)16-7-5-15(6-8-16)12-20-18-9-4-14(3)10-17(18)11-19/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 63529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).