9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride

C14H9ClO3 — CID 102471447

IUPAC9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride
SMILESCc1c2ccccc2c(O)c2occ(C(=O)Cl)c12
InChIInChI=1S/C14H9ClO3/c1-7-8-4-2-3-5-9(8)12(16)13-11(7)10(6-18-13)14(15)17/h2-6,16H,1H3
InChIKeyCEQBUTOYCRUUFO-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.98
Rot. Bonds1

About 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride

9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride (PubChem CID 102471447) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride.

Molecular Properties

Compound Name9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride
PubChem CID102471447
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride
SMILESCc1c2ccccc2c(O)c2occ(C(=O)Cl)c12
InChIInChI=1S/C14H9ClO3/c1-7-8-4-2-3-5-9(8)12(16)13-11(7)10(6-18-13)14(15)17/h2-6,16H,1H3
InChIKeyCEQBUTOYCRUUFO-UHFFFAOYSA-N
XLogP3.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride?
The IUPAC name of 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride (CID 102471447) is 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride.
What is the SMILES notation for 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride?
The canonical SMILES for 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride is Cc1c2ccccc2c(O)c2occ(C(=O)Cl)c12.
What is the InChIKey of 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride?
The InChIKey is CEQBUTOYCRUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-7-8-4-2-3-5-9(8)12(16)13-11(7)10(6-18-13)14(15)17/h2-6,16H,1H3.
What are the key properties of 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride?
9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride has a molecular weight of 260.68 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-methylbenzo[f][1]benzofuran-3-carbonyl chloride is sourced from PubChem (CID 102471447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).