3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde

C14H10ClFO2 — CID 106529572

IUPAC3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
SMILESCc1ccc(Oc2cc(F)cc(C=O)c2)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-17)5-11(16)7-12/h2-8H,1H3
InChIKeySFFGRBBQHKCDFO-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.39
Rot. Bonds3

About 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde

3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde (PubChem CID 106529572) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
PubChem CID106529572
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
SMILESCc1ccc(Oc2cc(F)cc(C=O)c2)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-17)5-11(16)7-12/h2-8H,1H3
InChIKeySFFGRBBQHKCDFO-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 54.39
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

3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
3-(4-bromo-2-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529597
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529539
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
CID 114276742
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
CID 106529577
3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
3-fluoro-5-(4-fluoro-3-methylphenoxy)benzaldehyde
CID 106529596
3-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
3-(4-bromo-3-methylphenoxy)-5-fluorobenzaldehyde
CID 106529601
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde (CID 106529572) is 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde is Cc1ccc(Oc2cc(F)cc(C=O)c2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde?
The InChIKey is SFFGRBBQHKCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-17)5-11(16)7-12/h2-8H,1H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde?
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde has a molecular weight of 264.68 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 106529572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).