4-(4-ethylphenoxy)-2-methylbenzaldehyde

C16H16O2 — CID 63534458

IUPAC4-(4-ethylphenoxy)-2-methylbenzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-3-13-4-7-15(8-5-13)18-16-9-6-14(11-17)12(2)10-16/h4-11H,3H2,1-2H3
InChIKeyQZWMVYJERWYBOD-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.16
Rot. Bonds4

About 4-(4-ethylphenoxy)-2-methylbenzaldehyde

4-(4-ethylphenoxy)-2-methylbenzaldehyde (PubChem CID 63534458) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-2-methylbenzaldehyde
PubChem CID63534458
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(4-ethylphenoxy)-2-methylbenzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-3-13-4-7-15(8-5-13)18-16-9-6-14(11-17)12(2)10-16/h4-11H,3H2,1-2H3
InChIKeyQZWMVYJERWYBOD-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-ethylphenoxy)-2-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
CID 63535814
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
2-bromo-2-[4-(4-ethylphenoxy)-2,6-dimethylphenyl]acetaldehyde
CID 87392232
1,4-bis[(E)-2-(4-bromophenyl)ethenyl]-2-methylbenzene;1-bromo-4-ethylbenzene;4-methoxy-2-methylbenzaldehyde;bromide
CID 162213493
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-[4-(4-ethylphenoxy)-2,6-dimethylphenyl]ethanone
CID 158467095
2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
CID 166001241
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-(4-ethylphenoxy)-2-methylbenzaldehyde (CID 63534458) is 4-(4-ethylphenoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(4-ethylphenoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-(4-ethylphenoxy)-2-methylbenzaldehyde is CCc1ccc(Oc2ccc(C=O)c(C)c2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-2-methylbenzaldehyde?
The InChIKey is QZWMVYJERWYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-13-4-7-15(8-5-13)18-16-9-6-14(11-17)12(2)10-16/h4-11H,3H2,1-2H3.
What are the key properties of 4-(4-ethylphenoxy)-2-methylbenzaldehyde?
4-(4-ethylphenoxy)-2-methylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 63534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).