methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate

C11H7ClO4 — CID 121302859

IUPACmethyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cccc2cc(C(=O)Cl)oc12
InChIInChI=1S/C11H7ClO4/c1-15-11(14)7-4-2-3-6-5-8(10(12)13)16-9(6)7/h2-5H,1H3
InChIKeyDFMOXSCPQACMQA-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate

methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate (PubChem CID 121302859) has the molecular formula C11H7ClO4 and a molecular weight of 238.63 g/mol. Its IUPAC name is methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate
PubChem CID121302859
Molecular FormulaC11H7ClO4
Molecular Weight238.63 g/mol
Exact Mass238.00
IUPAC Namemethyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cccc2cc(C(=O)Cl)oc12
InChIInChI=1S/C11H7ClO4/c1-15-11(14)7-4-2-3-6-5-8(10(12)13)16-9(6)7/h2-5H,1H3
InChIKeyDFMOXSCPQACMQA-UHFFFAOYSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040
methyl 7-cyano-1-benzofuran-2-carboxylate
CID 138668888
methyl 2-(3-nitrophenyl)-1-benzofuran-7-carboxylate
CID 70421121
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
CID 58782322
methyl 1-benzofuran-7-carboxylate;ozone
CID 161374548
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
methyl 2-[3-[(dimethylamino)methyl]phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621354

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate (CID 121302859) is methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate is COC(=O)c1cccc2cc(C(=O)Cl)oc12.
What is the InChIKey of methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate?
The InChIKey is DFMOXSCPQACMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO4/c1-15-11(14)7-4-2-3-6-5-8(10(12)13)16-9(6)7/h2-5H,1H3.
What are the key properties of methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate?
methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate has a molecular weight of 238.63 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate is sourced from PubChem (CID 121302859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).