2-(4-methoxyphenyl)benzaldehyde

C14H12O2 — CID 1393220

IUPAC2-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C14H12O2/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChIKeyRMFQIZQKPSRFAC-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-methoxyphenyl)benzaldehyde

2-(4-methoxyphenyl)benzaldehyde (PubChem CID 1393220) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)benzaldehyde
PubChem CID1393220
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C14H12O2/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChIKeyRMFQIZQKPSRFAC-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 2-(4-methoxyphenyl)benzaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)benzaldehyde (CID 1393220) is 2-(4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)benzaldehyde is COc1ccc(-c2ccccc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)benzaldehyde?
The InChIKey is RMFQIZQKPSRFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)benzaldehyde?
2-(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 2-(4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 1393220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).