4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol

C20H13ClO4 — CID 143532366

IUPAC4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
SMILESOc1ccc2c(c1)Oc1c(ccc(O)c1Cl)C21OCc2ccccc21
InChIInChI=1S/C20H13ClO4/c21-18-16(23)8-7-15-19(18)25-17-9-12(22)5-6-14(17)20(15)13-4-2-1-3-11(13)10-24-20/h1-9,22-23H,10H2
InChIKeyAIPDTPAOWQFOQN-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.68
Rot. Bonds

About 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol

4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol (PubChem CID 143532366) has the molecular formula C20H13ClO4 and a molecular weight of 352.77 g/mol. Its IUPAC name is 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol.

Molecular Properties

Compound Name4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
PubChem CID143532366
Molecular FormulaC20H13ClO4
Molecular Weight352.77 g/mol
Exact Mass352.05
IUPAC Name4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
SMILESOc1ccc2c(c1)Oc1c(ccc(O)c1Cl)C21OCc2ccccc21
InChIInChI=1S/C20H13ClO4/c21-18-16(23)8-7-15-19(18)25-17-9-12(22)5-6-14(17)20(15)13-4-2-1-3-11(13)10-24-20/h1-9,22-23H,10H2
InChIKeyAIPDTPAOWQFOQN-UHFFFAOYSA-N
XLogP4.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4',5'-dichlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 66813638
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 21240933
spiro[1H-2-benzofuran-3,9'-3,9a-dihydroxanthene]-3',6'-diol
CID 159219577
3,3-diphenyl-1H-2-benzofuran
CID 571068
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid
CID 14647123
2',4,5',7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 123676920
3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
3',6'-dihydroxy-4'-(piperazin-1-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19609090
acetic acid;2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;2',4'-dichloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 158409116
(6'-methoxyspiro[1H-2-benzofuran-3,9'-xanthene]-3'-yl) trifluoromethanesulfonate
CID 162533143
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982

Frequently Asked Questions

What is the IUPAC name of 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The IUPAC name of 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol (CID 143532366) is 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol.
What is the SMILES notation for 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The canonical SMILES for 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol is Oc1ccc2c(c1)Oc1c(ccc(O)c1Cl)C21OCc2ccccc21.
What is the InChIKey of 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
The InChIKey is AIPDTPAOWQFOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO4/c21-18-16(23)8-7-15-19(18)25-17-9-12(22)5-6-14(17)20(15)13-4-2-1-3-11(13)10-24-20/h1-9,22-23H,10H2.
What are the key properties of 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol?
4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol has a molecular weight of 352.77 g/mol, XLogP of 4.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol is sourced from PubChem (CID 143532366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).