2-(2-methyl-1-benzofuran-3-yl)acetyl chloride

C11H9ClO2 — CID 142975043

IUPAC2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
SMILESCc1oc2ccccc2c1CC(=O)Cl
InChIInChI=1S/C11H9ClO2/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKeyJXPVOGPMGIXJLT-UHFFFAOYSA-N
MW208.64 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride

2-(2-methyl-1-benzofuran-3-yl)acetyl chloride (PubChem CID 142975043) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
PubChem CID142975043
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
SMILESCc1oc2ccccc2c1CC(=O)Cl
InChIInChI=1S/C11H9ClO2/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKeyJXPVOGPMGIXJLT-UHFFFAOYSA-N
XLogP3.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382
1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 953008
(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide
CID 129351915
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
4,4,4-trifluoro-3-[[[2-(2-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]butanoic acid
CID 167869160
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
3-(2-methyl-1-benzofuran-3-yl)propanenitrile
CID 116987391
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
CID 128982045
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
4-methyl-2-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]pentanoic acid
CID 122073193
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride?
The IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride (CID 142975043) is 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride.
What is the SMILES notation for 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride?
The canonical SMILES for 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride is Cc1oc2ccccc2c1CC(=O)Cl.
What is the InChIKey of 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride?
The InChIKey is JXPVOGPMGIXJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3.
What are the key properties of 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride?
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride has a molecular weight of 208.64 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzofuran-3-yl)acetyl chloride is sourced from PubChem (CID 142975043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).