5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride

C10H8Cl2O2 — CID 23453103

IUPAC5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride
SMILESCC1Oc2ccc(Cl)cc2C1C(=O)Cl
InChIInChI=1S/C10H8Cl2O2/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-5,9H,1H3
InChIKeyFQJWBRKNIHIYIP-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.97
Rot. Bonds1

About 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride

5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride (PubChem CID 23453103) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride
PubChem CID23453103
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride
SMILESCC1Oc2ccc(Cl)cc2C1C(=O)Cl
InChIInChI=1S/C10H8Cl2O2/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-5,9H,1H3
InChIKeyFQJWBRKNIHIYIP-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.97
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 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride?
The IUPAC name of 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride (CID 23453103) is 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride.
What is the SMILES notation for 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride?
The canonical SMILES for 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride is CC1Oc2ccc(Cl)cc2C1C(=O)Cl.
What is the InChIKey of 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride?
The InChIKey is FQJWBRKNIHIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-5,9H,1H3.
What are the key properties of 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride?
5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride has a molecular weight of 231.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride is sourced from PubChem (CID 23453103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).