3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione

C14H9ClO4 — CID 15749397

IUPAC3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione
SMILESCc1c(Cl)c(=O)oc2c(C)c3oc(=O)ccc3cc12
InChIInChI=1S/C14H9ClO4/c1-6-9-5-8-3-4-10(16)18-12(8)7(2)13(9)19-14(17)11(6)15/h3-5H,1-2H3
InChIKeyRGUQQGWTUMISBN-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.17
Rot. Bonds

About 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione

3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione (PubChem CID 15749397) has the molecular formula C14H9ClO4 and a molecular weight of 276.68 g/mol. Its IUPAC name is 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione.

Molecular Properties

Compound Name3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione
PubChem CID15749397
Molecular FormulaC14H9ClO4
Molecular Weight276.68 g/mol
Exact Mass276.02
IUPAC Name3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione
SMILESCc1c(Cl)c(=O)oc2c(C)c3oc(=O)ccc3cc12
InChIInChI=1S/C14H9ClO4/c1-6-9-5-8-3-4-10(16)18-12(8)7(2)13(9)19-14(17)11(6)15/h3-5H,1-2H3
InChIKeyRGUQQGWTUMISBN-UHFFFAOYSA-N
XLogP3.17
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-8-chlorochromen-2-one
CID 22608599
6-chloro-8-iodochromen-2-one
CID 22608626
7-hydroxy-3,8-dimethylchromen-2-one
CID 5483179
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
3-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
CID 14068749
(3-chloro-4,8-dimethyl-2-oxochromen-7-yl) propanoate
CID 882078
8-(hydroxymethyl)-6-[[8-(hydroxymethyl)-7-methyl-2-oxochromen-6-yl]methyl]-7-methylchromen-2-one
CID 139221448
6-methyl-8-nitrochromen-2-one
CID 176726542
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
CID 59891635
7,17-dichloro-12-methyl-10,14-dioxa-8,16-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 171441951
2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537825
9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one
CID 11087264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione?
The IUPAC name of 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione (CID 15749397) is 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione.
What is the SMILES notation for 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione?
The canonical SMILES for 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione is Cc1c(Cl)c(=O)oc2c(C)c3oc(=O)ccc3cc12.
What is the InChIKey of 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione?
The InChIKey is RGUQQGWTUMISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO4/c1-6-9-5-8-3-4-10(16)18-12(8)7(2)13(9)19-14(17)11(6)15/h3-5H,1-2H3.
What are the key properties of 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione?
3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione has a molecular weight of 276.68 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione is sourced from PubChem (CID 15749397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).