4-(2,3-difluorophenoxy)-2-methylbenzaldehyde

C14H10F2O2 — CID 63038344

IUPAC4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3
InChIKeySAUXEOFHCNEFDI-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.88
Rot. Bonds3

About 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde

4-(2,3-difluorophenoxy)-2-methylbenzaldehyde (PubChem CID 63038344) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
PubChem CID63038344
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3
InChIKeySAUXEOFHCNEFDI-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.88
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-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
CID 62134240
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylbenzaldehyde
CID 63534295
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
4-fluoro-2-methylbenzaldehyde
CID 2783217
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
[4-(2,3-difluorophenoxy)phenyl]boronic acid
CID 140785253
4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
CID 63535814
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
CID 22283553
N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide
CID 118155996
4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde
CID 107658905

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde (CID 63038344) is 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde is Cc1cc(Oc2cccc(F)c2F)ccc1C=O.
What is the InChIKey of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The InChIKey is SAUXEOFHCNEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3.
What are the key properties of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 63038344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).