methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

C16H13ClO5 — CID 2511826

IUPACmethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccccc2Cl)o1
InChIInChI=1S/C16H13ClO5/c1-20-16(19)14-8-7-12(22-14)10-21-15(18)9-6-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3/b9-6+
InChIKeyVTGFZUSXXPDLNU-RMKNXTFCSA-N
MW320.73 g/mol
LogP3.48
Rot. Bonds5

About methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2511826) has the molecular formula C16H13ClO5 and a molecular weight of 320.73 g/mol. Its IUPAC name is methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
PubChem CID2511826
Molecular FormulaC16H13ClO5
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC Namemethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccccc2Cl)o1
InChIInChI=1S/C16H13ClO5/c1-20-16(19)14-8-7-12(22-14)10-21-15(18)9-6-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3/b9-6+
InChIKeyVTGFZUSXXPDLNU-RMKNXTFCSA-N
XLogP3.48
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2506390
methyl 5-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7734854
methyl 5-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8661183
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
(4-cyanophenyl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6055047
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
methyl 5-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8675246
methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
CID 8732589
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
dimethyl 5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 8018296

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (CID 2511826) is methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)/C=C/c2ccccc2Cl)o1.
What is the InChIKey of methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is VTGFZUSXXPDLNU-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H13ClO5/c1-20-16(19)14-8-7-12(22-14)10-21-15(18)9-6-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3/b9-6+.
What are the key properties of methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 320.73 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2511826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).