methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate

C14H14O5 — CID 106946359

IUPACmethyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(O)c2ccc(O)cc2)o1
InChIInChI=1S/C14H14O5/c1-14(17,9-3-5-10(15)6-4-9)12-8-7-11(19-12)13(16)18-2/h3-8,15,17H,1-2H3
InChIKeyWNXUSVSRYBYJEG-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.03
Rot. Bonds3

About methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate

methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate (PubChem CID 106946359) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate
PubChem CID106946359
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Namemethyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(O)c2ccc(O)cc2)o1
InChIInChI=1S/C14H14O5/c1-14(17,9-3-5-10(15)6-4-9)12-8-7-11(19-12)13(16)18-2/h3-8,15,17H,1-2H3
InChIKeyWNXUSVSRYBYJEG-UHFFFAOYSA-N
XLogP2.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate
CID 106946238
methyl 5-(6,6,6-trifluoro-2-hydroxyhexan-2-yl)furan-2-carboxylate
CID 106946442
methyl 5-(1-hydroxy-1-phenylbutyl)furan-2-carboxylate
CID 106945818
methyl 5-(3-chloro-1-hydroxy-1-phenylpropyl)furan-2-carboxylate
CID 106946444
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
methyl 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]furan-2-carboxylate
CID 106946577
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
3-O-tert-butyl 1-O-methyl 2-amino-2-(4-hydroxyphenyl)propanedioate
CID 68717374
4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol
CID 70612687
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate (CID 106946359) is methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)(O)c2ccc(O)cc2)o1.
What is the InChIKey of methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate?
The InChIKey is WNXUSVSRYBYJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-14(17,9-3-5-10(15)6-4-9)12-8-7-11(19-12)13(16)18-2/h3-8,15,17H,1-2H3.
What are the key properties of methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate?
methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-hydroxy-1-(4-hydroxyphenyl)ethyl]furan-2-carboxylate is sourced from PubChem (CID 106946359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).