methyl 4-(4-hydroxyphenyl)furan-2-carboxylate

C12H10O4 — CID 117223143

IUPACmethyl 4-(4-hydroxyphenyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)co1
InChIInChI=1S/C12H10O4/c1-15-12(14)11-6-9(7-16-11)8-2-4-10(13)5-3-8/h2-7,13H,1H3
InChIKeyKQVLIGMIWWIJCV-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.44
Rot. Bonds2

About methyl 4-(4-hydroxyphenyl)furan-2-carboxylate

methyl 4-(4-hydroxyphenyl)furan-2-carboxylate (PubChem CID 117223143) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 4-(4-hydroxyphenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxyphenyl)furan-2-carboxylate
PubChem CID117223143
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namemethyl 4-(4-hydroxyphenyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)co1
InChIInChI=1S/C12H10O4/c1-15-12(14)11-6-9(7-16-11)8-2-4-10(13)5-3-8/h2-7,13H,1H3
InChIKeyKQVLIGMIWWIJCV-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 4-(3-bromophenyl)furan-2-carboxylate
CID 117222845
methyl 4-(4-hydroxyphenyl)furan-3-carboxylate
CID 117223672
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
(5-methoxycarbonylfuran-3-yl)oxyboronic acid
CID 177305601
methyl 4-(2-sulfanylpropyl)furan-2-carboxylate
CID 138630113
methyl 4-(5-pentylfuran-3-yl)benzoate
CID 177480731
CID 159177716
CID 159177716
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
4-[3,5-bis(2-dimethoxyphosphorylethyl)phenyl]phenol
CID 155789701
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxyphenyl)furan-2-carboxylate?
The IUPAC name of methyl 4-(4-hydroxyphenyl)furan-2-carboxylate (CID 117223143) is methyl 4-(4-hydroxyphenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxyphenyl)furan-2-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxyphenyl)furan-2-carboxylate is COC(=O)c1cc(-c2ccc(O)cc2)co1.
What is the InChIKey of methyl 4-(4-hydroxyphenyl)furan-2-carboxylate?
The InChIKey is KQVLIGMIWWIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-12(14)11-6-9(7-16-11)8-2-4-10(13)5-3-8/h2-7,13H,1H3.
What are the key properties of methyl 4-(4-hydroxyphenyl)furan-2-carboxylate?
methyl 4-(4-hydroxyphenyl)furan-2-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-2-carboxylate is sourced from PubChem (CID 117223143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).