2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

C22H17FO5 — CID 118735490

IUPAC2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12
InChIInChI=1S/C22H17FO5/c1-25-16-7-8-17(26-2)21-20(16)19(27-3)10-14-15(24)11-18(28-22(14)21)12-5-4-6-13(23)9-12/h4-11H,1-3H3
InChIKeyLQGDNWFXAHWZQN-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (PubChem CID 118735490) has the molecular formula C22H17FO5 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
PubChem CID118735490
Molecular FormulaC22H17FO5
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12
InChIInChI=1S/C22H17FO5/c1-25-16-7-8-17(26-2)21-20(16)19(27-3)10-14-15(24)11-18(28-22(14)21)12-5-4-6-13(23)9-12/h4-11H,1-3H3
InChIKeyLQGDNWFXAHWZQN-UHFFFAOYSA-N
XLogP4.78
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (CID 118735490) is 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12.
What is the InChIKey of 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The InChIKey is LQGDNWFXAHWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO5/c1-25-16-7-8-17(26-2)21-20(16)19(27-3)10-14-15(24)11-18(28-22(14)21)12-5-4-6-13(23)9-12/h4-11H,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one has a molecular weight of 380.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is sourced from PubChem (CID 118735490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).