2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one

C18H15ClO6 — CID 24854051

IUPAC2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one
SMILESO=c1c2c(O)cccc2oc2ccc3c(c12)CC(C(O)(CO)CCl)O3
InChIInChI=1S/C18H15ClO6/c19-7-18(23,8-20)14-6-9-11(25-14)4-5-13-15(9)17(22)16-10(21)2-1-3-12(16)24-13/h1-5,14,20-21,23H,6-8H2
InChIKeyRJDOXCXLBLHXNV-UHFFFAOYSA-N
MW362.77 g/mol
LogP1.92
Rot. Bonds3

About 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one

2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one (PubChem CID 24854051) has the molecular formula C18H15ClO6 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one.

Molecular Properties

Compound Name2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one
PubChem CID24854051
Molecular FormulaC18H15ClO6
Molecular Weight362.77 g/mol
Exact Mass362.06
IUPAC Name2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one
SMILESO=c1c2c(O)cccc2oc2ccc3c(c12)CC(C(O)(CO)CCl)O3
InChIInChI=1S/C18H15ClO6/c19-7-18(23,8-20)14-6-9-11(25-14)4-5-13-15(9)17(22)16-10(21)2-1-3-12(16)24-13/h1-5,14,20-21,23H,6-8H2
InChIKeyRJDOXCXLBLHXNV-UHFFFAOYSA-N
XLogP1.92
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The IUPAC name of 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one (CID 24854051) is 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one.
What is the SMILES notation for 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The canonical SMILES for 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one is O=c1c2c(O)cccc2oc2ccc3c(c12)CC(C(O)(CO)CCl)O3.
What is the InChIKey of 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The InChIKey is RJDOXCXLBLHXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO6/c19-7-18(23,8-20)14-6-9-11(25-14)4-5-13-15(9)17(22)16-10(21)2-1-3-12(16)24-13/h1-5,14,20-21,23H,6-8H2.
What are the key properties of 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one?
2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one has a molecular weight of 362.77 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one is sourced from PubChem (CID 24854051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).