3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde

C10H10O2 — CID 149481699

IUPAC3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde
SMILESCC1OC(C=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-7-8-4-2-3-5-9(8)10(6-11)12-7/h2-7,10H,1H3
InChIKeyZDJSGCIDSWTDRN-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.02
Rot. Bonds1

About 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde

3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde (PubChem CID 149481699) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde
PubChem CID149481699
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde
SMILESCC1OC(C=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-7-8-4-2-3-5-9(8)10(6-11)12-7/h2-7,10H,1H3
InChIKeyZDJSGCIDSWTDRN-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde?
The IUPAC name of 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde (CID 149481699) is 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde.
What is the SMILES notation for 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde?
The canonical SMILES for 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde is CC1OC(C=O)c2ccccc21.
What is the InChIKey of 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde?
The InChIKey is ZDJSGCIDSWTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-8-4-2-3-5-9(8)10(6-11)12-7/h2-7,10H,1H3.
What are the key properties of 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde?
3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-dihydro-2-benzofuran-1-carbaldehyde is sourced from PubChem (CID 149481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).