ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate

C14H11ClO4 — CID 3131522

IUPACethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C(=O)Cl)o2)cc1
InChIInChI=1S/C14H11ClO4/c1-2-18-14(17)10-5-3-9(4-6-10)11-7-8-12(19-11)13(15)16/h3-8H,2H2,1H3
InChIKeyOPOPFTSILPZGEL-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.50
Rot. Bonds4

About ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate

ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate (PubChem CID 3131522) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
PubChem CID3131522
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Nameethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C(=O)Cl)o2)cc1
InChIInChI=1S/C14H11ClO4/c1-2-18-14(17)10-5-3-9(4-6-10)11-7-8-12(19-11)13(15)16/h3-8H,2H2,1H3
InChIKeyOPOPFTSILPZGEL-UHFFFAOYSA-N
XLogP3.50
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.50
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

ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-[5-[3-(4-methylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 4736125
ethyl 4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoate
CID 9058207
2-(3,4-dimethoxyphenyl)ethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617227
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617769

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate?
The IUPAC name of ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate (CID 3131522) is ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate?
The canonical SMILES for ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate is CCOC(=O)c1ccc(-c2ccc(C(=O)Cl)o2)cc1.
What is the InChIKey of ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate?
The InChIKey is OPOPFTSILPZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c1-2-18-14(17)10-5-3-9(4-6-10)11-7-8-12(19-11)13(15)16/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate?
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate has a molecular weight of 278.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate is sourced from PubChem (CID 3131522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).