3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde

C19H20O2 — CID 144776762

IUPAC3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
SMILESC=C(C)c1cc(C)cc(COc2cc(C)cc(C=O)c2)c1
InChIInChI=1S/C19H20O2/c1-13(2)18-7-14(3)6-17(9-18)12-21-19-8-15(4)5-16(10-19)11-20/h5-11H,1,12H2,2-4H3
InChIKeyDBOHTAFOTRMVST-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.73
Rot. Bonds5

About 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde

3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde (PubChem CID 144776762) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
PubChem CID144776762
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
SMILESC=C(C)c1cc(C)cc(COc2cc(C)cc(C=O)c2)c1
InChIInChI=1S/C19H20O2/c1-13(2)18-7-14(3)6-17(9-18)12-21-19-8-15(4)5-16(10-19)11-20/h5-11H,1,12H2,2-4H3
InChIKeyDBOHTAFOTRMVST-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.73
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-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde (CID 144776762) is 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde is C=C(C)c1cc(C)cc(COc2cc(C)cc(C=O)c2)c1.
What is the InChIKey of 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde?
The InChIKey is DBOHTAFOTRMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(2)18-7-14(3)6-17(9-18)12-21-19-8-15(4)5-16(10-19)11-20/h5-11H,1,12H2,2-4H3.
What are the key properties of 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde?
3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde has a molecular weight of 280.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 144776762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).