2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde

C17H18O2 — CID 83068040

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
SMILESCOc1c(C)cc(-c2cc(C)ccc2C=O)cc1C
InChIInChI=1S/C17H18O2/c1-11-5-6-14(10-18)16(7-11)15-8-12(2)17(19-4)13(3)9-15/h5-10H,1-4H3
InChIKeyJDUWKFQDDUXKQS-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde

2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde (PubChem CID 83068040) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
PubChem CID83068040
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
SMILESCOc1c(C)cc(-c2cc(C)ccc2C=O)cc1C
InChIInChI=1S/C17H18O2/c1-11-5-6-14(10-18)16(7-11)15-8-12(2)17(19-4)13(3)9-15/h5-10H,1-4H3
InChIKeyJDUWKFQDDUXKQS-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.10
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 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde (CID 83068040) is 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde is COc1c(C)cc(-c2cc(C)ccc2C=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde?
The InChIKey is JDUWKFQDDUXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-5-6-14(10-18)16(7-11)15-8-12(2)17(19-4)13(3)9-15/h5-10H,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde?
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 83068040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).