4-(4-methoxyphenyl)benzaldehyde

C14H12O2 — CID 1394487

IUPAC4-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
InChIKeyJTTIGLYPLMYHAT-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.17
Rot. Bonds3

About 4-(4-methoxyphenyl)benzaldehyde

4-(4-methoxyphenyl)benzaldehyde (PubChem CID 1394487) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-methoxyphenyl)benzaldehyde
PubChem CID1394487
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
InChIKeyJTTIGLYPLMYHAT-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.17
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-(4-methoxyphenyl)benzaldehyde?
The IUPAC name of 4-(4-methoxyphenyl)benzaldehyde (CID 1394487) is 4-(4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(4-methoxyphenyl)benzaldehyde is COc1ccc(-c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)benzaldehyde?
The InChIKey is JTTIGLYPLMYHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)benzaldehyde?
4-(4-methoxyphenyl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 1394487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).