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

C16H16O2 — CID 43345612

IUPAC2-(2,3,6-trimethylphenoxy)benzaldehyde
SMILESCc1ccc(C)c(Oc2ccccc2C=O)c1C
InChIInChI=1S/C16H16O2/c1-11-8-9-12(2)16(13(11)3)18-15-7-5-4-6-14(15)10-17/h4-10H,1-3H3
InChIKeyUGUHOFOXUWGPFO-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.22
Rot. Bonds3

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

2-(2,3,6-trimethylphenoxy)benzaldehyde (PubChem CID 43345612) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2,3,6-trimethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2,3,6-trimethylphenoxy)benzaldehyde
PubChem CID43345612
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(2,3,6-trimethylphenoxy)benzaldehyde
SMILESCc1ccc(C)c(Oc2ccccc2C=O)c1C
InChIInChI=1S/C16H16O2/c1-11-8-9-12(2)16(13(11)3)18-15-7-5-4-6-14(15)10-17/h4-10H,1-3H3
InChIKeyUGUHOFOXUWGPFO-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.22
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

2-[2-(2,3,6-trimethylphenoxy)ethoxy]benzaldehyde
CID 20989910
2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43167605
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
CID 65237718
2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
CID 91547146
2-methylperoxybenzaldehyde
CID 23505479
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
2-(2-hydroxyphenoxy)-3,4-dimethylphenol
CID 175742174
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
CID 132539599
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
3,5-difluoro-4-(2,3,6-trimethylphenoxy)benzaldehyde
CID 63534797

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6-trimethylphenoxy)benzaldehyde?
The IUPAC name of 2-(2,3,6-trimethylphenoxy)benzaldehyde (CID 43345612) is 2-(2,3,6-trimethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-(2,3,6-trimethylphenoxy)benzaldehyde?
The canonical SMILES for 2-(2,3,6-trimethylphenoxy)benzaldehyde is Cc1ccc(C)c(Oc2ccccc2C=O)c1C.
What is the InChIKey of 2-(2,3,6-trimethylphenoxy)benzaldehyde?
The InChIKey is UGUHOFOXUWGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-8-9-12(2)16(13(11)3)18-15-7-5-4-6-14(15)10-17/h4-10H,1-3H3.
What are the key properties of 2-(2,3,6-trimethylphenoxy)benzaldehyde?
2-(2,3,6-trimethylphenoxy)benzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,6-trimethylphenoxy)benzaldehyde is sourced from PubChem (CID 43345612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).