2-fluoro-4-methoxy-5-propoxybenzaldehyde

C11H13FO3 — CID 22145775

IUPAC2-fluoro-4-methoxy-5-propoxybenzaldehyde
SMILESCCCOc1cc(C=O)c(F)cc1OC
InChIInChI=1S/C11H13FO3/c1-3-4-15-11-5-8(7-13)9(12)6-10(11)14-2/h5-7H,3-4H2,1-2H3
InChIKeyLTMNOMKORVCUTP-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.44
Rot. Bonds5

About 2-fluoro-4-methoxy-5-propoxybenzaldehyde

2-fluoro-4-methoxy-5-propoxybenzaldehyde (PubChem CID 22145775) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-propoxybenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-propoxybenzaldehyde
PubChem CID22145775
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-4-methoxy-5-propoxybenzaldehyde
SMILESCCCOc1cc(C=O)c(F)cc1OC
InChIInChI=1S/C11H13FO3/c1-3-4-15-11-5-8(7-13)9(12)6-10(11)14-2/h5-7H,3-4H2,1-2H3
InChIKeyLTMNOMKORVCUTP-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
4-fluoro-2-propoxybenzaldehyde
CID 74889364
5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde
CID 22145852
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
4-hexoxy-5-methoxy-2-nitrobenzaldehyde
CID 43311603
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
1-(2,2-dibromoethenyl)-2-iodo-5-methoxy-4-propoxybenzene
CID 58718325
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
CID 89110154
CID 89110154

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-propoxybenzaldehyde?
The IUPAC name of 2-fluoro-4-methoxy-5-propoxybenzaldehyde (CID 22145775) is 2-fluoro-4-methoxy-5-propoxybenzaldehyde.
What is the SMILES notation for 2-fluoro-4-methoxy-5-propoxybenzaldehyde?
The canonical SMILES for 2-fluoro-4-methoxy-5-propoxybenzaldehyde is CCCOc1cc(C=O)c(F)cc1OC.
What is the InChIKey of 2-fluoro-4-methoxy-5-propoxybenzaldehyde?
The InChIKey is LTMNOMKORVCUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-4-15-11-5-8(7-13)9(12)6-10(11)14-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-5-propoxybenzaldehyde?
2-fluoro-4-methoxy-5-propoxybenzaldehyde has a molecular weight of 212.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5-propoxybenzaldehyde is sourced from PubChem (CID 22145775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).