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

C9H10O4 — CID 28595486

IUPACmethyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](O)c1ccco1
InChIInChI=1S/C9H10O4/c1-6(9(11)12-2)8(10)7-4-3-5-13-7/h3-5,8,10H,1H2,2H3/t8-/m0/s1
InChIKeyZRQVAXYNDLKHMH-QMMMGPOBSA-N
MW182.17 g/mol
LogP1.04
Rot. Bonds3

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

methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate (PubChem CID 28595486) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
PubChem CID28595486
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](O)c1ccco1
InChIInChI=1S/C9H10O4/c1-6(9(11)12-2)8(10)7-4-3-5-13-7/h3-5,8,10H,1H2,2H3/t8-/m0/s1
InChIKeyZRQVAXYNDLKHMH-QMMMGPOBSA-N
XLogP1.04
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.04
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-[furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 10750378
ethyl 2-[(R)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 135054134
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate
CID 11290925
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
methyl 2-[(3-bromo-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 3786535
methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
CID 103260102
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
CID 154662033
CID 154662033
methyl 2-benzhydrylprop-2-enoate
CID 67016942
methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate
CID 102087738
methyl 2-[(3-bromonaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
CID 102442417

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate (CID 28595486) is methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate is C=C(C(=O)OC)[C@H](O)c1ccco1.
What is the InChIKey of methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate?
The InChIKey is ZRQVAXYNDLKHMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10O4/c1-6(9(11)12-2)8(10)7-4-3-5-13-7/h3-5,8,10H,1H2,2H3/t8-/m0/s1.
What are the key properties of methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate?
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate has a molecular weight of 182.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate is sourced from PubChem (CID 28595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).