methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate

C15H10O7 — CID 88718270

IUPACmethyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
SMILESCOC(=O)Oc1cc(=O)c2c(ccc3c(C)cc(=O)oc32)o1
InChIInChI=1S/C15H10O7/c1-7-5-11(17)21-14-8(7)3-4-10-13(14)9(16)6-12(20-10)22-15(18)19-2/h3-6H,1-2H3
InChIKeyBOYCOZYMUZOYAX-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.35
Rot. Bonds1

About methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate

methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate (PubChem CID 88718270) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate.

Molecular Properties

Compound Namemethyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
PubChem CID88718270
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Namemethyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
SMILESCOC(=O)Oc1cc(=O)c2c(ccc3c(C)cc(=O)oc32)o1
InChIInChI=1S/C15H10O7/c1-7-5-11(17)21-14-8(7)3-4-10-13(14)9(16)6-12(20-10)22-15(18)19-2/h3-6H,1-2H3
InChIKeyBOYCOZYMUZOYAX-UHFFFAOYSA-N
XLogP2.35
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
7-acetyloxy-4-methyl-2-oxochromene-8-carboxylic acid
CID 16638200
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide
CID 21153594
4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
CID 627761
ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
CID 14690244
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902

Frequently Asked Questions

What is the IUPAC name of methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate?
The IUPAC name of methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate (CID 88718270) is methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate.
What is the SMILES notation for methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate?
The canonical SMILES for methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate is COC(=O)Oc1cc(=O)c2c(ccc3c(C)cc(=O)oc32)o1.
What is the InChIKey of methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate?
The InChIKey is BOYCOZYMUZOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c1-7-5-11(17)21-14-8(7)3-4-10-13(14)9(16)6-12(20-10)22-15(18)19-2/h3-6H,1-2H3.
What are the key properties of methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate?
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate has a molecular weight of 302.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate is sourced from PubChem (CID 88718270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).