methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate

C12H9IO4 — CID 102014884

IUPACmethyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
SMILESCOC(=O)c1cc(I)c(O)cc1-c1ccco1
InChIInChI=1S/C12H9IO4/c1-16-12(15)8-5-9(13)10(14)6-7(8)11-3-2-4-17-11/h2-6,14H,1H3
InChIKeyWVPRLSXQPIGITP-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate

methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate (PubChem CID 102014884) has the molecular formula C12H9IO4 and a molecular weight of 344.10 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
PubChem CID102014884
Molecular FormulaC12H9IO4
Molecular Weight344.10 g/mol
Exact Mass343.95
IUPAC Namemethyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
SMILESCOC(=O)c1cc(I)c(O)cc1-c1ccco1
InChIInChI=1S/C12H9IO4/c1-16-12(15)8-5-9(13)10(14)6-7(8)11-3-2-4-17-11/h2-6,14H,1H3
InChIKeyWVPRLSXQPIGITP-UHFFFAOYSA-N
XLogP3.04
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
CID 102392505
dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
CID 10758019
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate?
The IUPAC name of methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate (CID 102014884) is methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate.
What is the SMILES notation for methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate?
The canonical SMILES for methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate is COC(=O)c1cc(I)c(O)cc1-c1ccco1.
What is the InChIKey of methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate?
The InChIKey is WVPRLSXQPIGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO4/c1-16-12(15)8-5-9(13)10(14)6-7(8)11-3-2-4-17-11/h2-6,14H,1H3.
What are the key properties of methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate?
methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate has a molecular weight of 344.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate is sourced from PubChem (CID 102014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).