furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone

C17H12O4 — CID 60587967

IUPACfuro[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C17H12O4/c1-10-2-4-11(5-3-10)17(18)16-7-12-6-14-15(20-9-19-14)8-13(12)21-16/h2-8H,9H2,1H3
InChIKeyFVMIBHJIPOQMGV-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.70
Rot. Bonds2

About furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone

furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone (PubChem CID 60587967) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Namefuro[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
PubChem CID60587967
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Namefuro[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C17H12O4/c1-10-2-4-11(5-3-10)17(18)16-7-12-6-14-15(20-9-19-14)8-13(12)21-16/h2-8H,9H2,1H3
InChIKeyFVMIBHJIPOQMGV-UHFFFAOYSA-N
XLogP3.70
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952
(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587932
furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
CID 47411580
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
CID 28888936
2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetic acid
CID 22679082
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891

Frequently Asked Questions

What is the IUPAC name of furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone?
The IUPAC name of furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone (CID 60587967) is furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone.
What is the SMILES notation for furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone?
The canonical SMILES for furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1.
What is the InChIKey of furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone?
The InChIKey is FVMIBHJIPOQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-10-2-4-11(5-3-10)17(18)16-7-12-6-14-15(20-9-19-14)8-13(12)21-16/h2-8H,9H2,1H3.
What are the key properties of furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone?
furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone has a molecular weight of 280.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 60587967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).