3-methyl-1-benzofuran-2-carbonyl chloride

C10H7ClO2 — CID 2734803

IUPAC3-methyl-1-benzofuran-2-carbonyl chloride
SMILESCc1c(C(=O)Cl)oc2ccccc12
InChIInChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3
InChIKeyQEULGCOIYWPYIL-UHFFFAOYSA-N
MW194.62 g/mol
LogP3.12
Rot. Bonds1

About 3-methyl-1-benzofuran-2-carbonyl chloride

3-methyl-1-benzofuran-2-carbonyl chloride (PubChem CID 2734803) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-methyl-1-benzofuran-2-carbonyl chloride.

Molecular Properties

Compound Name3-methyl-1-benzofuran-2-carbonyl chloride
PubChem CID2734803
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name3-methyl-1-benzofuran-2-carbonyl chloride
SMILESCc1c(C(=O)Cl)oc2ccccc12
InChIInChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3
InChIKeyQEULGCOIYWPYIL-UHFFFAOYSA-N
XLogP3.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzofuran-2-carbonyl chloride?
The IUPAC name of 3-methyl-1-benzofuran-2-carbonyl chloride (CID 2734803) is 3-methyl-1-benzofuran-2-carbonyl chloride.
What is the SMILES notation for 3-methyl-1-benzofuran-2-carbonyl chloride?
The canonical SMILES for 3-methyl-1-benzofuran-2-carbonyl chloride is Cc1c(C(=O)Cl)oc2ccccc12.
What is the InChIKey of 3-methyl-1-benzofuran-2-carbonyl chloride?
The InChIKey is QEULGCOIYWPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3.
What are the key properties of 3-methyl-1-benzofuran-2-carbonyl chloride?
3-methyl-1-benzofuran-2-carbonyl chloride has a molecular weight of 194.62 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzofuran-2-carbonyl chloride is sourced from PubChem (CID 2734803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).