(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone

C18H14O5 — CID 60587932

IUPAC(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
SMILESCCOc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C18H14O5/c1-2-20-13-5-3-11(4-6-13)18(19)17-8-12-7-15-16(22-10-21-15)9-14(12)23-17/h3-9H,2,10H2,1H3
InChIKeyQRNZFPOMDMTYPC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.79
Rot. Bonds4

About (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone

(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone (PubChem CID 60587932) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
PubChem CID60587932
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
SMILESCCOc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C18H14O5/c1-2-20-13-5-3-11(4-6-13)18(19)17-8-12-7-15-16(22-10-21-15)9-14(12)23-17/h3-9H,2,10H2,1H3
InChIKeyQRNZFPOMDMTYPC-UHFFFAOYSA-N
XLogP3.79
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952
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-(1,3-benzodioxol-5-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674742
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
CID 28888936
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
CID 71577026
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
CID 92865458

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The IUPAC name of (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone (CID 60587932) is (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone.
What is the SMILES notation for (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The canonical SMILES for (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone is CCOc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1.
What is the InChIKey of (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
The InChIKey is QRNZFPOMDMTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-20-13-5-3-11(4-6-13)18(19)17-8-12-7-15-16(22-10-21-15)9-14(12)23-17/h3-9H,2,10H2,1H3.
What are the key properties of (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone?
(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone has a molecular weight of 310.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone is sourced from PubChem (CID 60587932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).