2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde

C18H18O3 — CID 65444666

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(C=O)c1
InChIInChI=1S/C18H18O3/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-12H,6-9H2,1H3
InChIKeyYUKOBTUFFIIONR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds5

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde (PubChem CID 65444666) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
PubChem CID65444666
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(C=O)c1
InChIInChI=1S/C18H18O3/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-12H,6-9H2,1H3
InChIKeyYUKOBTUFFIIONR-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde (CID 65444666) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde is Cc1ccc(OCCc2ccc3c(c2)CCO3)c(C=O)c1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde?
The InChIKey is YUKOBTUFFIIONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 65444666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).