(5-phenylfuran-3-yl)methyl acetate

C13H12O3 — CID 102069071

IUPAC(5-phenylfuran-3-yl)methyl acetate
SMILESCC(=O)OCc1coc(-c2ccccc2)c1
InChIInChI=1S/C13H12O3/c1-10(14)15-8-11-7-13(16-9-11)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3
InChIKeyQMUXUQGFBKUYAZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.01
Rot. Bonds3

About (5-phenylfuran-3-yl)methyl acetate

(5-phenylfuran-3-yl)methyl acetate (PubChem CID 102069071) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (5-phenylfuran-3-yl)methyl acetate.

Molecular Properties

Compound Name(5-phenylfuran-3-yl)methyl acetate
PubChem CID102069071
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(5-phenylfuran-3-yl)methyl acetate
SMILESCC(=O)OCc1coc(-c2ccccc2)c1
InChIInChI=1S/C13H12O3/c1-10(14)15-8-11-7-13(16-9-11)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3
InChIKeyQMUXUQGFBKUYAZ-UHFFFAOYSA-N
XLogP3.01
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
CID 89491354
benzyl acetate
CID 8785
(5-acetylfuran-3-yl)methyl acetate
CID 18367906
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;formonitrile
CID 175329925
benzyl acetate;carbon monoxide;chromium
CID 11196913
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
benzyl acetate;benzyl benzoate
CID 158805672
benzyl acetate;dodecane
CID 138609592
[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate
CID 167287883

Frequently Asked Questions

What is the IUPAC name of (5-phenylfuran-3-yl)methyl acetate?
The IUPAC name of (5-phenylfuran-3-yl)methyl acetate (CID 102069071) is (5-phenylfuran-3-yl)methyl acetate.
What is the SMILES notation for (5-phenylfuran-3-yl)methyl acetate?
The canonical SMILES for (5-phenylfuran-3-yl)methyl acetate is CC(=O)OCc1coc(-c2ccccc2)c1.
What is the InChIKey of (5-phenylfuran-3-yl)methyl acetate?
The InChIKey is QMUXUQGFBKUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-10(14)15-8-11-7-13(16-9-11)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3.
What are the key properties of (5-phenylfuran-3-yl)methyl acetate?
(5-phenylfuran-3-yl)methyl acetate has a molecular weight of 216.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylfuran-3-yl)methyl acetate is sourced from PubChem (CID 102069071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).