5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde

C15H13FO4 — CID 59599763

IUPAC5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(O)c(OC)c2)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-11-3-4-12(13(16)7-11)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3
InChIKeyXNWKHYVOISUPNB-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.03
Rot. Bonds4

About 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde

5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 59599763) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID59599763
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(O)c(OC)c2)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-11-3-4-12(13(16)7-11)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3
InChIKeyXNWKHYVOISUPNB-UHFFFAOYSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane
CID 144909638
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde (CID 59599763) is 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde is COc1ccc(-c2cc(C=O)c(O)c(OC)c2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is XNWKHYVOISUPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-11-3-4-12(13(16)7-11)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3.
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 276.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 59599763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).