4-(furan-2-yl)benzoyl chloride

C11H7ClO2 — CID 7537504

IUPAC4-(furan-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H7ClO2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeySOVAUONZJRXJKK-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.33
Rot. Bonds2

About 4-(furan-2-yl)benzoyl chloride

4-(furan-2-yl)benzoyl chloride (PubChem CID 7537504) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(furan-2-yl)benzoyl chloride.

Molecular Properties

Compound Name4-(furan-2-yl)benzoyl chloride
PubChem CID7537504
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name4-(furan-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H7ClO2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeySOVAUONZJRXJKK-UHFFFAOYSA-N
XLogP3.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
CID 23005243
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)benzoyl chloride?
The IUPAC name of 4-(furan-2-yl)benzoyl chloride (CID 7537504) is 4-(furan-2-yl)benzoyl chloride.
What is the SMILES notation for 4-(furan-2-yl)benzoyl chloride?
The canonical SMILES for 4-(furan-2-yl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)benzoyl chloride?
The InChIKey is SOVAUONZJRXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H.
What are the key properties of 4-(furan-2-yl)benzoyl chloride?
4-(furan-2-yl)benzoyl chloride has a molecular weight of 206.63 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)benzoyl chloride is sourced from PubChem (CID 7537504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).