2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one

C18H14FNO2 — CID 58097558

IUPAC2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one
SMILES[H]/N=C(\C)Cc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO2/c1-11(20)8-12-2-7-17-15(9-12)16(21)10-18(22-17)13-3-5-14(19)6-4-13/h2-7,9-10,20H,8H2,1H3/b20-11+
InChIKeyBEUUVDCPJDWRSF-RGVLZGJSSA-N
MW295.31 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one

2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one (PubChem CID 58097558) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one
PubChem CID58097558
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one
SMILES[H]/N=C(\C)Cc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO2/c1-11(20)8-12-2-7-17-15(9-12)16(21)10-18(22-17)13-3-5-14(19)6-4-13/h2-7,9-10,20H,8H2,1H3/b20-11+
InChIKeyBEUUVDCPJDWRSF-RGVLZGJSSA-N
XLogP4.18
TPSA54.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-(2-iminopropyl)chromen-4-one
CID 58097562
[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
CID 140966920
6-ethyl-2-phenylchromen-4-one
CID 10999458
6-benzyl-2-phenylchromen-4-one
CID 90747479
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide
CID 18568670
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-(4-acetylphenyl)chromen-4-one
CID 66553887
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 22176854
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 11349817
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one (CID 58097558) is 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one is [H]/N=C(\C)Cc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one?
The InChIKey is BEUUVDCPJDWRSF-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11(20)8-12-2-7-17-15(9-12)16(21)10-18(22-17)13-3-5-14(19)6-4-13/h2-7,9-10,20H,8H2,1H3/b20-11+.
What are the key properties of 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one?
2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one has a molecular weight of 295.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one is sourced from PubChem (CID 58097558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).