methyl 5-phenylfuran-2-carboxylate

C12H10O3 — CID 11275689

IUPACmethyl 5-phenylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H10O3/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRQWRCTAAHRAAGB-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.73
Rot. Bonds2

About methyl 5-phenylfuran-2-carboxylate

methyl 5-phenylfuran-2-carboxylate (PubChem CID 11275689) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 5-phenylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylfuran-2-carboxylate
PubChem CID11275689
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 5-phenylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H10O3/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyRQWRCTAAHRAAGB-UHFFFAOYSA-N
XLogP2.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylfuran-2-carboxylate?
The IUPAC name of methyl 5-phenylfuran-2-carboxylate (CID 11275689) is methyl 5-phenylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-phenylfuran-2-carboxylate?
The canonical SMILES for methyl 5-phenylfuran-2-carboxylate is COC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of methyl 5-phenylfuran-2-carboxylate?
The InChIKey is RQWRCTAAHRAAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 5-phenylfuran-2-carboxylate?
methyl 5-phenylfuran-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylfuran-2-carboxylate is sourced from PubChem (CID 11275689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).