2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one

C19H12O6 — CID 3083586

IUPAC2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one
SMILESCOc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O
InChIInChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3
InChIKeyIGFBIJDAWSAJIF-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.94
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one

2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one (PubChem CID 3083586) has the molecular formula C19H12O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one
PubChem CID3083586
Molecular FormulaC19H12O6
Molecular Weight336.30 g/mol
Exact Mass336.06
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one
SMILESCOc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O
InChIInChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3
InChIKeyIGFBIJDAWSAJIF-UHFFFAOYSA-N
XLogP3.94
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-Methoxypsoralen
CID 4114
Imperatorin
CID 10212
Isoimperatorin
CID 68081
Isopimpinellin
CID 68079
Khellin
CID 3828
Sphondin
CID 108104
Pimpinellin
CID 4825
Phellopterin
CID 98608
Visnagin
CID 6716
8-Geranyloxypsoralen
CID 5317564
Karanjin
CID 100633
Pachyrrhizin
CID 101277

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one (CID 3083586) is 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one is COc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one?
The InChIKey is IGFBIJDAWSAJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one?
2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one has a molecular weight of 336.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one is sourced from PubChem (CID 3083586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).