furan-2-ylmethyl 5-hydroxy-4-oxopentanoate

C10H12O5 — CID 174653423

IUPACfuran-2-ylmethyl 5-hydroxy-4-oxopentanoate
SMILESO=C(CO)CCC(=O)OCc1ccco1
InChIInChI=1S/C10H12O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h1-2,5,11H,3-4,6-7H2
InChIKeyAFTDMMPRJDCZCY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.66
Rot. Bonds6

About furan-2-ylmethyl 5-hydroxy-4-oxopentanoate

furan-2-ylmethyl 5-hydroxy-4-oxopentanoate (PubChem CID 174653423) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is furan-2-ylmethyl 5-hydroxy-4-oxopentanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 5-hydroxy-4-oxopentanoate
PubChem CID174653423
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namefuran-2-ylmethyl 5-hydroxy-4-oxopentanoate
SMILESO=C(CO)CCC(=O)OCc1ccco1
InChIInChI=1S/C10H12O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h1-2,5,11H,3-4,6-7H2
InChIKeyAFTDMMPRJDCZCY-UHFFFAOYSA-N
XLogP0.66
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-[3-[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxy-2,2-bis[[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxymethyl]propyl] 1-O-(furan-2-ylmethyl) butanedioate
CID 101447383
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 174830614
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate
CID 164839099
furan-2-ylmethyl 2-acetylsulfanylacetate
CID 139696753
ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 13045444
benzyl 2-(furan-2-yl)acetate
CID 11447250
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 78763973

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The IUPAC name of furan-2-ylmethyl 5-hydroxy-4-oxopentanoate (CID 174653423) is furan-2-ylmethyl 5-hydroxy-4-oxopentanoate.
What is the SMILES notation for furan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The canonical SMILES for furan-2-ylmethyl 5-hydroxy-4-oxopentanoate is O=C(CO)CCC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The InChIKey is AFTDMMPRJDCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h1-2,5,11H,3-4,6-7H2.
What are the key properties of furan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
furan-2-ylmethyl 5-hydroxy-4-oxopentanoate has a molecular weight of 212.20 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 5-hydroxy-4-oxopentanoate is sourced from PubChem (CID 174653423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).