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

C19H12O6 — CID 12778488

IUPAC2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
SMILESCOc1cc2occc2c2oc(-c3ccc4c(c3)OCO4)cc(=O)c12
InChIInChI=1S/C19H12O6/c1-21-17-8-15-11(4-5-22-15)19-18(17)12(20)7-14(25-19)10-2-3-13-16(6-10)24-9-23-13/h2-8H,9H2,1H3
InChIKeyKXMKNCBSCHINMT-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.94
Rot. Bonds2

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

2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one (PubChem CID 12778488) has the molecular formula C19H12O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
PubChem CID12778488
Molecular FormulaC19H12O6
Molecular Weight336.30 g/mol
Exact Mass336.06
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
SMILESCOc1cc2occc2c2oc(-c3ccc4c(c3)OCO4)cc(=O)c12
InChIInChI=1S/C19H12O6/c1-21-17-8-15-11(4-5-22-15)19-18(17)12(20)7-14(25-19)10-2-3-13-16(6-10)24-9-23-13/h2-8H,9H2,1H3
InChIKeyKXMKNCBSCHINMT-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

2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propan-2-ylchromen-4-one
CID 4224623
methyl 2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-carboxylate
CID 91429082
N-[3-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 155511534
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637654
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
CID 11243755
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 158483004
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl formate
CID 44577177
[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 86059964
[2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxochromen-5-yl] acetate
CID 12679339

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one (CID 12778488) is 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one is COc1cc2occc2c2oc(-c3ccc4c(c3)OCO4)cc(=O)c12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one?
The InChIKey is KXMKNCBSCHINMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O6/c1-21-17-8-15-11(4-5-22-15)19-18(17)12(20)7-14(25-19)10-2-3-13-16(6-10)24-9-23-13/h2-8H,9H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one?
2-(1,3-benzodioxol-5-yl)-5-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)-5-methoxyfuro[2,3-h]chromen-4-one is sourced from PubChem (CID 12778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).