methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate

C14H12O4 — CID 70601670

IUPACmethyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)C1=CC=C2COc3ccccc3C2O1
InChIInChI=1S/C14H12O4/c1-16-14(15)12-7-6-9-8-17-11-5-3-2-4-10(11)13(9)18-12/h2-7,13H,8H2,1H3
InChIKeyDZEKVPYOXOSTBP-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.13
Rot. Bonds1

About methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate

methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate (PubChem CID 70601670) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate
PubChem CID70601670
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)C1=CC=C2COc3ccccc3C2O1
InChIInChI=1S/C14H12O4/c1-16-14(15)12-7-6-9-8-17-11-5-3-2-4-10(11)13(9)18-12/h2-7,13H,8H2,1H3
InChIKeyDZEKVPYOXOSTBP-UHFFFAOYSA-N
XLogP2.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate?
The IUPAC name of methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate (CID 70601670) is methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate?
The canonical SMILES for methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate is COC(=O)C1=CC=C2COc3ccccc3C2O1.
What is the InChIKey of methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate?
The InChIKey is DZEKVPYOXOSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-16-14(15)12-7-6-9-8-17-11-5-3-2-4-10(11)13(9)18-12/h2-7,13H,8H2,1H3.
What are the key properties of methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate?
methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 70601670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).