methyl 3-(furan-3-yl)-3-hydroxypropanoate

C8H10O4 — CID 10103574

IUPACmethyl 3-(furan-3-yl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)c1ccoc1
InChIInChI=1S/C8H10O4/c1-11-8(10)4-7(9)6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3
InChIKeyKMIQGRICEXOWGC-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.88
Rot. Bonds3

About methyl 3-(furan-3-yl)-3-hydroxypropanoate

methyl 3-(furan-3-yl)-3-hydroxypropanoate (PubChem CID 10103574) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 3-(furan-3-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(furan-3-yl)-3-hydroxypropanoate
PubChem CID10103574
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl 3-(furan-3-yl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)c1ccoc1
InChIInChI=1S/C8H10O4/c1-11-8(10)4-7(9)6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3
InChIKeyKMIQGRICEXOWGC-UHFFFAOYSA-N
XLogP0.88
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Centipedic acid
CID 5466638
9Beta-Hydroxyfraxinellone
CID 478833
2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol
CID 557594
Ethyl 3-(furan-3-yl)-3-oxopropanoate
CID 336409
5-(3-Furanyl)-5-hydroxy-2-pentanone
CID 161819
2-(Furan-3-yl)acetic acid
CID 818896
3-(Furan-3-yl)propanoic acid
CID 13310353
3-(Furan-3-yl)propan-1-ol
CID 13521238
Furospongin-4
CID 21672088
9alpha-Hydroxyfraxinellone
CID 636856
E,E incanic acid
CID 5469523
(E,6Z)-6-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienylidene]-2-methylhept-2-enedioic acid
CID 10024806

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-yl)-3-hydroxypropanoate?
The IUPAC name of methyl 3-(furan-3-yl)-3-hydroxypropanoate (CID 10103574) is methyl 3-(furan-3-yl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 3-(furan-3-yl)-3-hydroxypropanoate?
The canonical SMILES for methyl 3-(furan-3-yl)-3-hydroxypropanoate is COC(=O)CC(O)c1ccoc1.
What is the InChIKey of methyl 3-(furan-3-yl)-3-hydroxypropanoate?
The InChIKey is KMIQGRICEXOWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-11-8(10)4-7(9)6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3.
What are the key properties of methyl 3-(furan-3-yl)-3-hydroxypropanoate?
methyl 3-(furan-3-yl)-3-hydroxypropanoate has a molecular weight of 170.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-yl)-3-hydroxypropanoate is sourced from PubChem (CID 10103574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).