2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde

C16H15FO4 — CID 82791666

IUPAC2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cccc(OC)c2F)cc1OC
InChIInChI=1S/C16H15FO4/c1-19-13-6-4-5-11(16(13)17)12-8-15(21-3)14(20-2)7-10(12)9-18/h4-9H,1-3H3
InChIKeyPSRZZJAZKBRFIC-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde

2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde (PubChem CID 82791666) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
PubChem CID82791666
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cccc(OC)c2F)cc1OC
InChIInChI=1S/C16H15FO4/c1-19-13-6-4-5-11(16(13)17)12-8-15(21-3)14(20-2)7-10(12)9-18/h4-9H,1-3H3
InChIKeyPSRZZJAZKBRFIC-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde (CID 82791666) is 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)c(-c2cccc(OC)c2F)cc1OC.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde?
The InChIKey is PSRZZJAZKBRFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-13-6-4-5-11(16(13)17)12-8-15(21-3)14(20-2)7-10(12)9-18/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde?
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde has a molecular weight of 290.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 82791666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).