methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate

C10H12O4 — CID 163195882

IUPACmethyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)=CCO)o1
InChIInChI=1S/C10H12O4/c1-7(5-6-11)8-3-4-9(14-8)10(12)13-2/h3-5,11H,6H2,1-2H3
InChIKeyXYNGOGUZBXETOQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.46
Rot. Bonds3

About methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate

methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate (PubChem CID 163195882) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
PubChem CID163195882
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)=CCO)o1
InChIInChI=1S/C10H12O4/c1-7(5-6-11)8-3-4-9(14-8)10(12)13-2/h3-5,11H,6H2,1-2H3
InChIKeyXYNGOGUZBXETOQ-UHFFFAOYSA-N
XLogP1.46
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
CID 91473500
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556
methyl 5-(2-methyl-3-oxoprop-1-enyl)furan-2-carboxylate
CID 79331405
methyl 5-(4-chlorobutanoyl)furan-2-carboxylate
CID 20509854
methyl 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]furan-2-carboxylate
CID 106946577
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-(2-nitrobut-1-enyl)furan-2-carboxylate
CID 76913052

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate (CID 163195882) is methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate is COC(=O)c1ccc(C(C)=CCO)o1.
What is the InChIKey of methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate?
The InChIKey is XYNGOGUZBXETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(5-6-11)8-3-4-9(14-8)10(12)13-2/h3-5,11H,6H2,1-2H3.
What are the key properties of methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate?
methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate is sourced from PubChem (CID 163195882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).