ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate

C10H12O4 — CID 10750378

IUPACethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccco1
InChIInChI=1S/C10H12O4/c1-3-13-10(12)7(2)9(11)8-5-4-6-14-8/h4-6,9,11H,2-3H2,1H3
InChIKeyHKIYNTVOPXRWAH-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate

ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate (PubChem CID 10750378) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
PubChem CID10750378
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccco1
InChIInChI=1S/C10H12O4/c1-3-13-10(12)7(2)9(11)8-5-4-6-14-8/h4-6,9,11H,2-3H2,1H3
InChIKeyHKIYNTVOPXRWAH-UHFFFAOYSA-N
XLogP1.43
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(R)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 135054134
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
ethyl 2-[hydroxy-(5-methylfuran-2-yl)methyl]prop-2-enoate
CID 43186479
ethyl 2-[(2-bromophenyl)-hydroxymethyl]prop-2-enoate
CID 43186313
ethyl 2-[(2-fluorophenyl)-hydroxymethyl]prop-2-enoate
CID 11127932
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 2-[hydroxy-(5-methylthiophen-2-yl)methyl]prop-2-enoate
CID 43186312
ethyl (E,4S,5R)-4-(furan-2-yl)-5-hydroxyhex-2-enoate
CID 73293860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate (CID 10750378) is ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate is C=C(C(=O)OCC)C(O)c1ccco1.
What is the InChIKey of ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate?
The InChIKey is HKIYNTVOPXRWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-13-10(12)7(2)9(11)8-5-4-6-14-8/h4-6,9,11H,2-3H2,1H3.
What are the key properties of ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate?
ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate has a molecular weight of 196.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate is sourced from PubChem (CID 10750378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).