4-(4-fluorophenoxy)-2-methoxybenzaldehyde

C14H11FO3 — CID 174997678

IUPAC4-(4-fluorophenoxy)-2-methoxybenzaldehyde
SMILESCOc1cc(Oc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C14H11FO3/c1-17-14-8-13(5-2-10(14)9-16)18-12-6-3-11(15)4-7-12/h2-9H,1H3
InChIKeyADCFWCCYDCMKFY-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.44
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-methoxybenzaldehyde

4-(4-fluorophenoxy)-2-methoxybenzaldehyde (PubChem CID 174997678) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-methoxybenzaldehyde
PubChem CID174997678
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name4-(4-fluorophenoxy)-2-methoxybenzaldehyde
SMILESCOc1cc(Oc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C14H11FO3/c1-17-14-8-13(5-2-10(14)9-16)18-12-6-3-11(15)4-7-12/h2-9H,1H3
InChIKeyADCFWCCYDCMKFY-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.44
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

4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
2,4-diphenoxybenzaldehyde
CID 87301631
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 23079535
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
CID 59730360

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-methoxybenzaldehyde?
The IUPAC name of 4-(4-fluorophenoxy)-2-methoxybenzaldehyde (CID 174997678) is 4-(4-fluorophenoxy)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(4-fluorophenoxy)-2-methoxybenzaldehyde is COc1cc(Oc2ccc(F)cc2)ccc1C=O.
What is the InChIKey of 4-(4-fluorophenoxy)-2-methoxybenzaldehyde?
The InChIKey is ADCFWCCYDCMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-17-14-8-13(5-2-10(14)9-16)18-12-6-3-11(15)4-7-12/h2-9H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-methoxybenzaldehyde?
4-(4-fluorophenoxy)-2-methoxybenzaldehyde has a molecular weight of 246.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-methoxybenzaldehyde is sourced from PubChem (CID 174997678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).