methyl 2-chloro-6-(furan-2-yl)benzoate

C12H9ClO3 — CID 168524975

IUPACmethyl 2-chloro-6-(furan-2-yl)benzoate
SMILESCOC(=O)c1c(Cl)cccc1-c1ccco1
InChIInChI=1S/C12H9ClO3/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7H,1H3
InChIKeyAKYHMXVALRDSMN-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.39
Rot. Bonds2

About methyl 2-chloro-6-(furan-2-yl)benzoate

methyl 2-chloro-6-(furan-2-yl)benzoate (PubChem CID 168524975) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is methyl 2-chloro-6-(furan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(furan-2-yl)benzoate
PubChem CID168524975
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Namemethyl 2-chloro-6-(furan-2-yl)benzoate
SMILESCOC(=O)c1c(Cl)cccc1-c1ccco1
InChIInChI=1S/C12H9ClO3/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7H,1H3
InChIKeyAKYHMXVALRDSMN-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 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
CID 10758019
methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
CID 102392505

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(furan-2-yl)benzoate?
The IUPAC name of methyl 2-chloro-6-(furan-2-yl)benzoate (CID 168524975) is methyl 2-chloro-6-(furan-2-yl)benzoate.
What is the SMILES notation for methyl 2-chloro-6-(furan-2-yl)benzoate?
The canonical SMILES for methyl 2-chloro-6-(furan-2-yl)benzoate is COC(=O)c1c(Cl)cccc1-c1ccco1.
What is the InChIKey of methyl 2-chloro-6-(furan-2-yl)benzoate?
The InChIKey is AKYHMXVALRDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7H,1H3.
What are the key properties of methyl 2-chloro-6-(furan-2-yl)benzoate?
methyl 2-chloro-6-(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-6-(furan-2-yl)benzoate is sourced from PubChem (CID 168524975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).