2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde

C15H13FO3 — CID 172649767

IUPAC2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-10-19-15-5-3-2-4-13(15)11-6-7-12(9-17)14(16)8-11/h2-9H,10H2,1H3
InChIKeyJHIFCGPRLPSRLA-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.29
Rot. Bonds5

About 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde

2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 172649767) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID172649767
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-10-19-15-5-3-2-4-13(15)11-6-7-12(9-17)14(16)8-11/h2-9H,10H2,1H3
InChIKeyJHIFCGPRLPSRLA-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270433
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde (CID 172649767) is 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde is COCOc1ccccc1-c1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is JHIFCGPRLPSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-10-19-15-5-3-2-4-13(15)11-6-7-12(9-17)14(16)8-11/h2-9H,10H2,1H3.
What are the key properties of 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 172649767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).