(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid

C8H8O4 — CID 130334856

IUPAC(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)o1
InChIInChI=1S/C8H8O4/c1-11-8-5-3-6(12-8)2-4-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+
InChIKeyJNLSEMPJNOTJGC-DUXPYHPUSA-N
MW168.15 g/mol
LogP1.39
Rot. Bonds3

About (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid

(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid (PubChem CID 130334856) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid
PubChem CID130334856
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)o1
InChIInChI=1S/C8H8O4/c1-11-8-5-3-6(12-8)2-4-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+
InChIKeyJNLSEMPJNOTJGC-DUXPYHPUSA-N
XLogP1.39
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 776100
(E)-3-[5-(4-chloro-3-methylphenoxy)furan-2-yl]prop-2-enoic acid
CID 102537215
(E)-3-[5-(4-nitrophenoxy)furan-2-yl]prop-2-enoic acid
CID 102537214
(E)-3-(5-acetylfuran-2-yl)prop-2-enoic acid
CID 2063488
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]prop-2-enoic acid
CID 171136658
(E)-3-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 91679270
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
CID 781342
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
CID 781341
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid (CID 130334856) is (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid is COc1ccc(/C=C/C(=O)O)o1.
What is the InChIKey of (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid?
The InChIKey is JNLSEMPJNOTJGC-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H8O4/c1-11-8-5-3-6(12-8)2-4-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+.
What are the key properties of (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid?
(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid has a molecular weight of 168.15 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 130334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).