3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde

C18H18O3 — CID 115955508

IUPAC3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
SMILESCc1ccc2c(c1)CC(COc1c(C)cccc1C=O)O2
InChIInChI=1S/C18H18O3/c1-12-6-7-17-15(8-12)9-16(21-17)11-20-18-13(2)4-3-5-14(18)10-19/h3-8,10,16H,9,11H2,1-2H3
InChIKeyHGZYIKPAZDLDGH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds4

About 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde

3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde (PubChem CID 115955508) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
PubChem CID115955508
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
SMILESCc1ccc2c(c1)CC(COc1c(C)cccc1C=O)O2
InChIInChI=1S/C18H18O3/c1-12-6-7-17-15(8-12)9-16(21-17)11-20-18-13(2)4-3-5-14(18)10-19/h3-8,10,16H,9,11H2,1-2H3
InChIKeyHGZYIKPAZDLDGH-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
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-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115956664
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956487
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
(1R)-1-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanol
CID 79036087
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 114320962
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde (CID 115955508) is 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde is Cc1ccc2c(c1)CC(COc1c(C)cccc1C=O)O2.
What is the InChIKey of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde?
The InChIKey is HGZYIKPAZDLDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-6-7-17-15(8-12)9-16(21-17)11-20-18-13(2)4-3-5-14(18)10-19/h3-8,10,16H,9,11H2,1-2H3.
What are the key properties of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde?
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 115955508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).