3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal

C14H16O3 — CID 117336282

IUPAC3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal
SMILESCc1c2c(c(CCC=O)c3c1OCC3)OCC2
InChIInChI=1S/C14H16O3/c1-9-10-4-7-17-14(10)11(3-2-6-15)12-5-8-16-13(9)12/h6H,2-5,7-8H2,1H3
InChIKeyLTYOCLRRNBLNGZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds3

About 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal

3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal (PubChem CID 117336282) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal.

Molecular Properties

Compound Name3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal
PubChem CID117336282
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal
SMILESCc1c2c(c(CCC=O)c3c1OCC3)OCC2
InChIInChI=1S/C14H16O3/c1-9-10-4-7-17-14(10)11(3-2-6-15)12-5-8-16-13(9)12/h6H,2-5,7-8H2,1H3
InChIKeyLTYOCLRRNBLNGZ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986532
N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
CID 117315614
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 117370347
3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
CID 117300834
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
3-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propanal
CID 117294642
4-(4,5,6-trimethyl-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 54476999
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
CID 117380937
N-[(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methyl]ethanamine
CID 116986352

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal?
The IUPAC name of 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal (CID 117336282) is 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal.
What is the SMILES notation for 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal?
The canonical SMILES for 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal is Cc1c2c(c(CCC=O)c3c1OCC3)OCC2.
What is the InChIKey of 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal?
The InChIKey is LTYOCLRRNBLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-10-4-7-17-14(10)11(3-2-6-15)12-5-8-16-13(9)12/h6H,2-5,7-8H2,1H3.
What are the key properties of 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal?
3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal has a molecular weight of 232.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal is sourced from PubChem (CID 117336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).