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

C17H18O2 — CID 103434103

IUPAC4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde
SMILESCOc1c(-c2ccc(C=O)cc2C)ccc(C)c1C
InChIInChI=1S/C17H18O2/c1-11-5-7-16(17(19-4)13(11)3)15-8-6-14(10-18)9-12(15)2/h5-10H,1-4H3
InChIKeyOWMYCXPVAGOVSH-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.10
Rot. Bonds3

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

4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde (PubChem CID 103434103) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde
PubChem CID103434103
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde
SMILESCOc1c(-c2ccc(C=O)cc2C)ccc(C)c1C
InChIInChI=1S/C17H18O2/c1-11-5-7-16(17(19-4)13(11)3)15-8-6-14(10-18)9-12(15)2/h5-10H,1-4H3
InChIKeyOWMYCXPVAGOVSH-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 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde (CID 103434103) is 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde is COc1c(-c2ccc(C=O)cc2C)ccc(C)c1C.
What is the InChIKey of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde?
The InChIKey is OWMYCXPVAGOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-5-7-16(17(19-4)13(11)3)15-8-6-14(10-18)9-12(15)2/h5-10H,1-4H3.
What are the key properties of 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde?
4-(2-methoxy-3,4-dimethylphenyl)-3-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 4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 103434103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).