7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde

C16H12FNO2 — CID 174762931

IUPAC7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC(c2ccccc2)=C(O)c2ccc(F)cc21
InChIInChI=1S/C16H12FNO2/c17-11-6-7-12-13(8-11)14(9-19)18-15(16(12)20)10-4-2-1-3-5-10/h1-9,14,18,20H
InChIKeyVOEYOAFCUMFOLD-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.05
Rot. Bonds2

About 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde

7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174762931) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde
PubChem CID174762931
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC(c2ccccc2)=C(O)c2ccc(F)cc21
InChIInChI=1S/C16H12FNO2/c17-11-6-7-12-13(8-11)14(9-19)18-15(16(12)20)10-4-2-1-3-5-10/h1-9,14,18,20H
InChIKeyVOEYOAFCUMFOLD-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde (CID 174762931) is 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde is O=CC1NC(c2ccccc2)=C(O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is VOEYOAFCUMFOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-11-6-7-12-13(8-11)14(9-19)18-15(16(12)20)10-4-2-1-3-5-10/h1-9,14,18,20H.
What are the key properties of 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde?
7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 269.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174762931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).