2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde

C16H15ClO2 — CID 43167605

IUPAC2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2C=O)c1C
InChIInChI=1S/C16H15ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-9H,1-3H3
InChIKeyMNXMXTVFYFHNIZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.87
Rot. Bonds3

About 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde

2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde (PubChem CID 43167605) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
PubChem CID43167605
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2C=O)c1C
InChIInChI=1S/C16H15ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-9H,1-3H3
InChIKeyMNXMXTVFYFHNIZ-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.87
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-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde (CID 43167605) is 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde is Cc1ccc(C)c(Oc2cccc(Cl)c2C=O)c1C.
What is the InChIKey of 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde?
The InChIKey is MNXMXTVFYFHNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-9H,1-3H3.
What are the key properties of 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde?
2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde has a molecular weight of 274.75 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde is sourced from PubChem (CID 43167605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).