4-(2-ethoxyphenyl)benzaldehyde

C15H14O2 — CID 62801534

IUPAC4-(2-ethoxyphenyl)benzaldehyde
SMILESCCOc1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H14O2/c1-2-17-15-6-4-3-5-14(15)13-9-7-12(11-16)8-10-13/h3-11H,2H2,1H3
InChIKeyISCJWKIIBXSJII-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.56
Rot. Bonds4

About 4-(2-ethoxyphenyl)benzaldehyde

4-(2-ethoxyphenyl)benzaldehyde (PubChem CID 62801534) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)benzaldehyde
PubChem CID62801534
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-(2-ethoxyphenyl)benzaldehyde
SMILESCCOc1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H14O2/c1-2-17-15-6-4-3-5-14(15)13-9-7-12(11-16)8-10-13/h3-11H,2H2,1H3
InChIKeyISCJWKIIBXSJII-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
4-(2-ethoxyphenyl)phenol
CID 83129672
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
4-(2-ethoxyphenyl)pyridine
CID 23466193
3-[4-(difluoromethyl)phenyl]-4-ethoxybenzaldehyde
CID 172651369
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
6-(2-phenylphenoxy)pyridine-3-carbaldehyde
CID 80631698

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)benzaldehyde?
The IUPAC name of 4-(2-ethoxyphenyl)benzaldehyde (CID 62801534) is 4-(2-ethoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(2-ethoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(2-ethoxyphenyl)benzaldehyde is CCOc1ccccc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(2-ethoxyphenyl)benzaldehyde?
The InChIKey is ISCJWKIIBXSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-17-15-6-4-3-5-14(15)13-9-7-12(11-16)8-10-13/h3-11H,2H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)benzaldehyde?
4-(2-ethoxyphenyl)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)benzaldehyde is sourced from PubChem (CID 62801534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).