4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde

C14H10F2O2 — CID 144969645

IUPAC4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)c(F)c1F
InChIInChI=1S/C14H10F2O2/c1-18-12-7-6-11(13(15)14(12)16)10-4-2-9(8-17)3-5-10/h2-8H,1H3
InChIKeyITYWUEUOJJDMPN-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.45
Rot. Bonds3

About 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde

4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde (PubChem CID 144969645) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
PubChem CID144969645
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)c(F)c1F
InChIInChI=1S/C14H10F2O2/c1-18-12-7-6-11(13(15)14(12)16)10-4-2-9(8-17)3-5-10/h2-8H,1H3
InChIKeyITYWUEUOJJDMPN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89139958
2-[4-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88997622
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 145190540
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
CID 157022323
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde?
The IUPAC name of 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde (CID 144969645) is 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde is COc1ccc(-c2ccc(C=O)cc2)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde?
The InChIKey is ITYWUEUOJJDMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-12-7-6-11(13(15)14(12)16)10-4-2-9(8-17)3-5-10/h2-8H,1H3.
What are the key properties of 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde?
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 144969645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).