5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde

C14H11FO4 — CID 175743152

IUPAC5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde
SMILESCOc1c(O)c(O)c(C=O)c(-c2ccccc2)c1F
InChIInChI=1S/C14H11FO4/c1-19-14-11(15)10(8-5-3-2-4-6-8)9(7-16)12(17)13(14)18/h2-7,17-18H,1H3
InChIKeyATGKZWQRLWMFIQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.72
Rot. Bonds3

About 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde

5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde (PubChem CID 175743152) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde
PubChem CID175743152
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde
SMILESCOc1c(O)c(O)c(C=O)c(-c2ccccc2)c1F
InChIInChI=1S/C14H11FO4/c1-19-14-11(15)10(8-5-3-2-4-6-8)9(7-16)12(17)13(14)18/h2-7,17-18H,1H3
InChIKeyATGKZWQRLWMFIQ-UHFFFAOYSA-N
XLogP2.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde?
The IUPAC name of 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde (CID 175743152) is 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde?
The canonical SMILES for 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde is COc1c(O)c(O)c(C=O)c(-c2ccccc2)c1F.
What is the InChIKey of 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde?
The InChIKey is ATGKZWQRLWMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-19-14-11(15)10(8-5-3-2-4-6-8)9(7-16)12(17)13(14)18/h2-7,17-18H,1H3.
What are the key properties of 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde?
5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde has a molecular weight of 262.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde is sourced from PubChem (CID 175743152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).