2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one

C16H12O3 — CID 58280704

IUPAC2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
SMILESO=c1c2ccccc2oc2c3c(ccc12)OCCC3
InChIInChI=1S/C16H12O3/c17-15-10-4-1-2-6-14(10)19-16-11-5-3-9-18-13(11)8-7-12(15)16/h1-2,4,6-8H,3,5,9H2
InChIKeyZZLALTWHNKGOID-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.27
Rot. Bonds

About 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one

2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one (PubChem CID 58280704) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
PubChem CID58280704
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
SMILESO=c1c2ccccc2oc2c3c(ccc12)OCCC3
InChIInChI=1S/C16H12O3/c17-15-10-4-1-2-6-14(10)19-16-11-5-3-9-18-13(11)8-7-12(15)16/h1-2,4,6-8H,3,5,9H2
InChIKeyZZLALTWHNKGOID-UHFFFAOYSA-N
XLogP3.27
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one?
The IUPAC name of 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one (CID 58280704) is 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one.
What is the SMILES notation for 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one?
The canonical SMILES for 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one is O=c1c2ccccc2oc2c3c(ccc12)OCCC3.
What is the InChIKey of 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one?
The InChIKey is ZZLALTWHNKGOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15-10-4-1-2-6-14(10)19-16-11-5-3-9-18-13(11)8-7-12(15)16/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one?
2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one has a molecular weight of 252.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one is sourced from PubChem (CID 58280704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).