methyl 4-(4-hydroxyphenyl)furan-3-carboxylate

C12H10O4 — CID 117223672

IUPACmethyl 4-(4-hydroxyphenyl)furan-3-carboxylate
SMILESCOC(=O)c1cocc1-c1ccc(O)cc1
InChIInChI=1S/C12H10O4/c1-15-12(14)11-7-16-6-10(11)8-2-4-9(13)5-3-8/h2-7,13H,1H3
InChIKeyAQFXWSRAGNWGIW-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.44
Rot. Bonds2

About methyl 4-(4-hydroxyphenyl)furan-3-carboxylate

methyl 4-(4-hydroxyphenyl)furan-3-carboxylate (PubChem CID 117223672) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 4-(4-hydroxyphenyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxyphenyl)furan-3-carboxylate
PubChem CID117223672
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namemethyl 4-(4-hydroxyphenyl)furan-3-carboxylate
SMILESCOC(=O)c1cocc1-c1ccc(O)cc1
InChIInChI=1S/C12H10O4/c1-15-12(14)11-7-16-6-10(11)8-2-4-9(13)5-3-8/h2-7,13H,1H3
InChIKeyAQFXWSRAGNWGIW-UHFFFAOYSA-N
XLogP2.44
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
4-methoxycarbonylfuran-3-carboxylate
CID 18696610
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143
methyl 2-amino-4-(4-hydroxyphenyl)-3-nitrobenzoate
CID 67661505
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
CID 159177716
CID 159177716
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,4-bis(4-hydroxyphenyl)pyrrole-2-carboxylate
CID 163098830
methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate
CID 767588

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxyphenyl)furan-3-carboxylate?
The IUPAC name of methyl 4-(4-hydroxyphenyl)furan-3-carboxylate (CID 117223672) is methyl 4-(4-hydroxyphenyl)furan-3-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxyphenyl)furan-3-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxyphenyl)furan-3-carboxylate is COC(=O)c1cocc1-c1ccc(O)cc1.
What is the InChIKey of methyl 4-(4-hydroxyphenyl)furan-3-carboxylate?
The InChIKey is AQFXWSRAGNWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-12(14)11-7-16-6-10(11)8-2-4-9(13)5-3-8/h2-7,13H,1H3.
What are the key properties of methyl 4-(4-hydroxyphenyl)furan-3-carboxylate?
methyl 4-(4-hydroxyphenyl)furan-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxyphenyl)furan-3-carboxylate is sourced from PubChem (CID 117223672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).