3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde

C19H22O2 — CID 123307453

IUPAC3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
SMILESCc1cc(C=O)cc(-c2ccc(OC(C)(C)C)cc2C)c1
InChIInChI=1S/C19H22O2/c1-13-8-15(12-20)11-16(9-13)18-7-6-17(10-14(18)2)21-19(3,4)5/h6-12H,1-5H3
InChIKeyUSXGYKWDYYTFQU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.96
Rot. Bonds3

About 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde

3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde (PubChem CID 123307453) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde.

Molecular Properties

Compound Name3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
PubChem CID123307453
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
SMILESCc1cc(C=O)cc(-c2ccc(OC(C)(C)C)cc2C)c1
InChIInChI=1S/C19H22O2/c1-13-8-15(12-20)11-16(9-13)18-7-6-17(10-14(18)2)21-19(3,4)5/h6-12H,1-5H3
InChIKeyUSXGYKWDYYTFQU-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.96
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 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde?
The IUPAC name of 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde (CID 123307453) is 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde.
What is the SMILES notation for 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde?
The canonical SMILES for 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde is Cc1cc(C=O)cc(-c2ccc(OC(C)(C)C)cc2C)c1.
What is the InChIKey of 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde?
The InChIKey is USXGYKWDYYTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-8-15(12-20)11-16(9-13)18-7-6-17(10-14(18)2)21-19(3,4)5/h6-12H,1-5H3.
What are the key properties of 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde?
3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde has a molecular weight of 282.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde is sourced from PubChem (CID 123307453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).