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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Related Compounds

4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
propane;xanthen-9-one
CID 90876458
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
CID 135167543
8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one
CID 118725391
4-chloro-3-hydroxyxanthen-9-one
CID 15617000
4-ethylxanthen-9-one
CID 15075530
3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
4-(dimethoxymethyl)xanthen-9-one
CID 154941110
ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate
CID 10087734
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
6,8,14-trioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),11,15,17,19-octaen-21-one
CID 135193746
2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866

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).