methyl 2-chloro-5-(furan-2-yl)benzoate

C12H9ClO3 — CID 168524498

IUPACmethyl 2-chloro-5-(furan-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccco2)ccc1Cl
InChIInChI=1S/C12H9ClO3/c1-15-12(14)9-7-8(4-5-10(9)13)11-3-2-6-16-11/h2-7H,1H3
InChIKeyHKVXJVCDNNMUND-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.39
Rot. Bonds2

About methyl 2-chloro-5-(furan-2-yl)benzoate

methyl 2-chloro-5-(furan-2-yl)benzoate (PubChem CID 168524498) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is methyl 2-chloro-5-(furan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(furan-2-yl)benzoate
PubChem CID168524498
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Namemethyl 2-chloro-5-(furan-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccco2)ccc1Cl
InChIInChI=1S/C12H9ClO3/c1-15-12(14)9-7-8(4-5-10(9)13)11-3-2-6-16-11/h2-7H,1H3
InChIKeyHKVXJVCDNNMUND-UHFFFAOYSA-N
XLogP3.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 168527698
4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
CID 53228500
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
CID 66877597
methyl 2-chloro-5-[5-[(1,3-dioxoinden-2-ylidene)methyl]furan-2-yl]benzoate
CID 126398267

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(furan-2-yl)benzoate?
The IUPAC name of methyl 2-chloro-5-(furan-2-yl)benzoate (CID 168524498) is methyl 2-chloro-5-(furan-2-yl)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(furan-2-yl)benzoate?
The canonical SMILES for methyl 2-chloro-5-(furan-2-yl)benzoate is COC(=O)c1cc(-c2ccco2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(furan-2-yl)benzoate?
The InChIKey is HKVXJVCDNNMUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-15-12(14)9-7-8(4-5-10(9)13)11-3-2-6-16-11/h2-7H,1H3.
What are the key properties of methyl 2-chloro-5-(furan-2-yl)benzoate?
methyl 2-chloro-5-(furan-2-yl)benzoate has a molecular weight of 236.65 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(furan-2-yl)benzoate is sourced from PubChem (CID 168524498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).