(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone

C18H14O4 — CID 60587952

IUPAC(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
SMILESCc1ccc(C)c(C(=O)c2cc3cc4c(cc3o2)OCO4)c1
InChIInChI=1S/C18H14O4/c1-10-3-4-11(2)13(5-10)18(19)17-7-12-6-15-16(21-9-20-15)8-14(12)22-17/h3-8H,9H2,1-2H3
InChIKeyQGUPSKCPCMDSAR-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.01
Rot. Bonds2

About (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone

(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone (PubChem CID 60587952) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
PubChem CID60587952
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
SMILESCc1ccc(C)c(C(=O)c2cc3cc4c(cc3o2)OCO4)c1
InChIInChI=1S/C18H14O4/c1-10-3-4-11(2)13(5-10)18(19)17-7-12-6-15-16(21-9-20-15)8-14(12)22-17/h3-8H,9H2,1-2H3
InChIKeyQGUPSKCPCMDSAR-UHFFFAOYSA-N
XLogP4.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
(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
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
CID 71577026
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
CID 28888936
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The IUPAC name of (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone (CID 60587952) is (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone.
What is the SMILES notation for (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The canonical SMILES for (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone is Cc1ccc(C)c(C(=O)c2cc3cc4c(cc3o2)OCO4)c1.
What is the InChIKey of (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The InChIKey is QGUPSKCPCMDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-10-3-4-11(2)13(5-10)18(19)17-7-12-6-15-16(21-9-20-15)8-14(12)22-17/h3-8H,9H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone has a molecular weight of 294.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone is sourced from PubChem (CID 60587952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).