5,5-dihydroxychromeno[4,3-c]chromen-11-one

C16H10O5 — CID 141072451

IUPAC5,5-dihydroxychromeno[4,3-c]chromen-11-one
SMILESO=c1oc2ccccc2c2c1-c1ccccc1OC2(O)O
InChIInChI=1S/C16H10O5/c17-15-13-9-5-1-4-8-12(9)21-16(18,19)14(13)10-6-2-3-7-11(10)20-15/h1-8,18-19H
InChIKeyKBWYHAQBCWEBEA-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.95
Rot. Bonds

About 5,5-dihydroxychromeno[4,3-c]chromen-11-one

5,5-dihydroxychromeno[4,3-c]chromen-11-one (PubChem CID 141072451) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5,5-dihydroxychromeno[4,3-c]chromen-11-one.

Molecular Properties

Compound Name5,5-dihydroxychromeno[4,3-c]chromen-11-one
PubChem CID141072451
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name5,5-dihydroxychromeno[4,3-c]chromen-11-one
SMILESO=c1oc2ccccc2c2c1-c1ccccc1OC2(O)O
InChIInChI=1S/C16H10O5/c17-15-13-9-5-1-4-8-12(9)21-16(18,19)14(13)10-6-2-3-7-11(10)20-15/h1-8,18-19H
InChIKeyKBWYHAQBCWEBEA-UHFFFAOYSA-N
XLogP1.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-4-sulfanylchromen-2-one
CID 139244784
5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one
CID 11482438
7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
CID 121242464
2,2,4-trimethylpyrano[3,2-c]chromen-5-one
CID 13244741
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-amino-3-phenylchromen-2-one
CID 617040
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
3-acetyl-4-phenylchromen-2-one
CID 56965161

Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxychromeno[4,3-c]chromen-11-one?
The IUPAC name of 5,5-dihydroxychromeno[4,3-c]chromen-11-one (CID 141072451) is 5,5-dihydroxychromeno[4,3-c]chromen-11-one.
What is the SMILES notation for 5,5-dihydroxychromeno[4,3-c]chromen-11-one?
The canonical SMILES for 5,5-dihydroxychromeno[4,3-c]chromen-11-one is O=c1oc2ccccc2c2c1-c1ccccc1OC2(O)O.
What is the InChIKey of 5,5-dihydroxychromeno[4,3-c]chromen-11-one?
The InChIKey is KBWYHAQBCWEBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-15-13-9-5-1-4-8-12(9)21-16(18,19)14(13)10-6-2-3-7-11(10)20-15/h1-8,18-19H.
What are the key properties of 5,5-dihydroxychromeno[4,3-c]chromen-11-one?
5,5-dihydroxychromeno[4,3-c]chromen-11-one has a molecular weight of 282.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxychromeno[4,3-c]chromen-11-one is sourced from PubChem (CID 141072451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).