2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde

C17H17FO3 — CID 43388336

IUPAC2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C17H17FO3/c1-2-8-20-16-7-6-14(11-19)17(10-16)21-12-13-4-3-5-15(18)9-13/h3-7,9-11H,2,8,12H2,1H3
InChIKeyWANFFAHQXYOARK-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.01
Rot. Bonds7

About 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde

2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde (PubChem CID 43388336) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
PubChem CID43388336
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C17H17FO3/c1-2-8-20-16-7-6-14(11-19)17(10-16)21-12-13-4-3-5-15(18)9-13/h3-7,9-11H,2,8,12H2,1H3
InChIKeyWANFFAHQXYOARK-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.01
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

N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-[(5-bromo-3-pyridinyl)methoxy]-4-propoxybenzaldehyde
CID 115580502
2-[(1-methylpyrazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 43415503
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
CID 113235685
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
2-(1,2,4-oxadiazol-3-ylmethoxy)-4-propoxybenzaldehyde
CID 43388449
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde (CID 43388336) is 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde?
The InChIKey is WANFFAHQXYOARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-2-8-20-16-7-6-14(11-19)17(10-16)21-12-13-4-3-5-15(18)9-13/h3-7,9-11H,2,8,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde?
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde has a molecular weight of 288.32 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 43388336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).