5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride

C12H8Cl2O3 — CID 19619567

IUPAC5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C12H8Cl2O3/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2
InChIKeyNMYUXDZCDXFZDD-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.89
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride

5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride (PubChem CID 19619567) has the molecular formula C12H8Cl2O3 and a molecular weight of 271.10 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
PubChem CID19619567
Molecular FormulaC12H8Cl2O3
Molecular Weight271.10 g/mol
Exact Mass269.99
IUPAC Name5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C12H8Cl2O3/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2
InChIKeyNMYUXDZCDXFZDD-UHFFFAOYSA-N
XLogP3.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660032
1-(1-adamantyl)-3-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]urea
CID 4179445
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19457031
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride (CID 19619567) is 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride is O=C(Cl)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride?
The InChIKey is NMYUXDZCDXFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2.
What are the key properties of 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride?
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride has a molecular weight of 271.10 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride is sourced from PubChem (CID 19619567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).