ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one

C20H17NO3 — CID 145204600

IUPACethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one
SMILESCC.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO3.C2H6/c20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;1-2/h1-10,20H;1-2H3
InChIKeyVIFFIMIZSFJKKO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.74
Rot. Bonds1

About ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one

ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one (PubChem CID 145204600) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Nameethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one
PubChem CID145204600
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Nameethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one
SMILESCC.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO3.C2H6/c20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;1-2/h1-10,20H;1-2H3
InChIKeyVIFFIMIZSFJKKO-UHFFFAOYSA-N
XLogP4.74
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one?
The IUPAC name of ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one (CID 145204600) is ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one.
What is the SMILES notation for ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one?
The canonical SMILES for ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one is CC.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12.
What is the InChIKey of ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one?
The InChIKey is VIFFIMIZSFJKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3.C2H6/c20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;1-2/h1-10,20H;1-2H3.
What are the key properties of ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one?
ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one has a molecular weight of 319.36 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one is sourced from PubChem (CID 145204600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).