4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde

C17H16ClFO2 — CID 23352412

IUPAC4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde
SMILESCOc1c(Cl)cc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16ClFO2/c1-10(2)13-8-15(18)17(21-3)16(14(13)9-20)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyDWMCEUQXDQDABJ-UHFFFAOYSA-N
MW306.76 g/mol
LogP5.09
Rot. Bonds4

About 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde

4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde (PubChem CID 23352412) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde
PubChem CID23352412
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde
SMILESCOc1c(Cl)cc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16ClFO2/c1-10(2)13-8-15(18)17(21-3)16(14(13)9-20)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyDWMCEUQXDQDABJ-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.76
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde (CID 23352412) is 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde is COc1c(Cl)cc(C(C)C)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde?
The InChIKey is DWMCEUQXDQDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-10(2)13-8-15(18)17(21-3)16(14(13)9-20)11-4-6-12(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde?
4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde has a molecular weight of 306.76 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-3-methoxy-6-propan-2-ylbenzaldehyde is sourced from PubChem (CID 23352412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).