(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one

C20H20O6 — CID 163055733

IUPAC(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESCOc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H](C(C)(C)O)O4
InChIInChI=1S/C20H20O6/c1-20(2,22)15-8-11-13(25-15)9-14(24-4)16-17(21)10-6-5-7-12(23-3)18(10)26-19(11)16/h5-7,9,15,22H,8H2,1-4H3/t15-/m1/s1
InChIKeyNVCVNROHXLRYQK-OAHLLOKOSA-N
MW356.37 g/mol
LogP3.04
Rot. Bonds3

About (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one

(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one (PubChem CID 163055733) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one.

Molecular Properties

Compound Name(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
PubChem CID163055733
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESCOc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H](C(C)(C)O)O4
InChIInChI=1S/C20H20O6/c1-20(2,22)15-8-11-13(25-15)9-14(24-4)16-17(21)10-6-5-7-12(23-3)18(10)26-19(11)16/h5-7,9,15,22H,8H2,1-4H3/t15-/m1/s1
InChIKeyNVCVNROHXLRYQK-OAHLLOKOSA-N
XLogP3.04
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 89344353
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
(3S,7S)-11-hydroxy-18-methoxy-6-methylidene-4,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14(19),15,17-hexaen-13-one
CID 11186777
7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 5087850
bis((2R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one);methanol
CID 139074003
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
8-methoxybenzo[a]xanthen-12-one
CID 135193701
3-hydroxy-4,5-dimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
CID 5316767
2-[4-(3-methoxy-5-methylphenoxy)-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
CID 163162623
2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
CID 11280195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The IUPAC name of (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one (CID 163055733) is (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one.
What is the SMILES notation for (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The canonical SMILES for (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one is COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H](C(C)(C)O)O4.
What is the InChIKey of (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The InChIKey is NVCVNROHXLRYQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20O6/c1-20(2,22)15-8-11-13(25-15)9-14(24-4)16-17(21)10-6-5-7-12(23-3)18(10)26-19(11)16/h5-7,9,15,22H,8H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one?
(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one has a molecular weight of 356.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one is sourced from PubChem (CID 163055733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).