4-methylpyrano[2,3-a]xanthene-2,12-dione

C17H10O4 — CID 13270680

IUPAC4-methylpyrano[2,3-a]xanthene-2,12-dione
SMILESCc1cc(=O)oc2c1ccc1oc3ccccc3c(=O)c12
InChIInChI=1S/C17H10O4/c1-9-8-14(18)21-17-10(9)6-7-13-15(17)16(19)11-4-2-3-5-12(11)20-13/h2-8H,1H3
InChIKeyLDCHMIJVYCMTDX-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.36
Rot. Bonds

About 4-methylpyrano[2,3-a]xanthene-2,12-dione

4-methylpyrano[2,3-a]xanthene-2,12-dione (PubChem CID 13270680) has the molecular formula C17H10O4 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-methylpyrano[2,3-a]xanthene-2,12-dione.

Molecular Properties

Compound Name4-methylpyrano[2,3-a]xanthene-2,12-dione
PubChem CID13270680
Molecular FormulaC17H10O4
Molecular Weight278.26 g/mol
Exact Mass278.06
IUPAC Name4-methylpyrano[2,3-a]xanthene-2,12-dione
SMILESCc1cc(=O)oc2c1ccc1oc3ccccc3c(=O)c12
InChIInChI=1S/C17H10O4/c1-9-8-14(18)21-17-10(9)6-7-13-15(17)16(19)11-4-2-3-5-12(11)20-13/h2-8H,1H3
InChIKeyLDCHMIJVYCMTDX-UHFFFAOYSA-N
XLogP3.36
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.36
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
dimethyltin;4-methylchromen-2-one
CID 175284443
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
CID 631083
8-iodo-4-methylchromen-2-one
CID 130067017
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
4-methyl-8-phenoxychromen-2-one
CID 86228952
11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
CID 10728490
1,1-diaminourea;4-methylchromen-2-one
CID 174896620

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrano[2,3-a]xanthene-2,12-dione?
The IUPAC name of 4-methylpyrano[2,3-a]xanthene-2,12-dione (CID 13270680) is 4-methylpyrano[2,3-a]xanthene-2,12-dione.
What is the SMILES notation for 4-methylpyrano[2,3-a]xanthene-2,12-dione?
The canonical SMILES for 4-methylpyrano[2,3-a]xanthene-2,12-dione is Cc1cc(=O)oc2c1ccc1oc3ccccc3c(=O)c12.
What is the InChIKey of 4-methylpyrano[2,3-a]xanthene-2,12-dione?
The InChIKey is LDCHMIJVYCMTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O4/c1-9-8-14(18)21-17-10(9)6-7-13-15(17)16(19)11-4-2-3-5-12(11)20-13/h2-8H,1H3.
What are the key properties of 4-methylpyrano[2,3-a]xanthene-2,12-dione?
4-methylpyrano[2,3-a]xanthene-2,12-dione has a molecular weight of 278.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrano[2,3-a]xanthene-2,12-dione is sourced from PubChem (CID 13270680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).