methyl 5-phenylfuran-3-carboxylate

C12H10O3 — CID 10130413

IUPACmethyl 5-phenylfuran-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccccc2)c1
InChIInChI=1S/C12H10O3/c1-14-12(13)10-7-11(15-8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyIJGWQHMRFVKBEL-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.73
Rot. Bonds2

About methyl 5-phenylfuran-3-carboxylate

methyl 5-phenylfuran-3-carboxylate (PubChem CID 10130413) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 5-phenylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylfuran-3-carboxylate
PubChem CID10130413
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 5-phenylfuran-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccccc2)c1
InChIInChI=1S/C12H10O3/c1-14-12(13)10-7-11(15-8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyIJGWQHMRFVKBEL-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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Related Compounds

methyl 5-(4-cyanophenyl)furan-3-carboxylate
CID 90487672
methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
CID 89491354
methyl 2-phenylazulene-6-carboxylate
CID 23257786
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 5-ethylfuran-3-carboxylate
CID 23661323
(5-phenylfuran-3-yl)methyl acetate
CID 102069071
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
3-(4-methoxycarbonylfuran-2-yl)propanoic acid
CID 99988483
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55445915

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylfuran-3-carboxylate?
The IUPAC name of methyl 5-phenylfuran-3-carboxylate (CID 10130413) is methyl 5-phenylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-phenylfuran-3-carboxylate?
The canonical SMILES for methyl 5-phenylfuran-3-carboxylate is COC(=O)c1coc(-c2ccccc2)c1.
What is the InChIKey of methyl 5-phenylfuran-3-carboxylate?
The InChIKey is IJGWQHMRFVKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-12(13)10-7-11(15-8-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 5-phenylfuran-3-carboxylate?
methyl 5-phenylfuran-3-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-3-carboxylate is sourced from PubChem (CID 10130413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).