benzyl 2-(furan-2-yl)acetate

C13H12O3 — CID 11447250

IUPACbenzyl 2-(furan-2-yl)acetate
SMILESO=C(Cc1ccco1)OCc1ccccc1
InChIInChI=1S/C13H12O3/c14-13(9-12-7-4-8-15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyMEUIAGXNVDHICM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.57
Rot. Bonds4

About benzyl 2-(furan-2-yl)acetate

benzyl 2-(furan-2-yl)acetate (PubChem CID 11447250) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is benzyl 2-(furan-2-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(furan-2-yl)acetate
PubChem CID11447250
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namebenzyl 2-(furan-2-yl)acetate
SMILESO=C(Cc1ccco1)OCc1ccccc1
InChIInChI=1S/C13H12O3/c14-13(9-12-7-4-8-15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyMEUIAGXNVDHICM-UHFFFAOYSA-N
XLogP2.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
benzyl 3-(furan-2-yl)-2-methylpropanoate
CID 132501734
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
benzyl 2-(5-methylfuran-3-yl)acetate
CID 134443184
benzyl 2-aminoacetate
CID 122130027
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 2-chloroacetate
CID 8786
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 3-(furan-2-yl)hex-5-enoate
CID 134916819

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(furan-2-yl)acetate?
The IUPAC name of benzyl 2-(furan-2-yl)acetate (CID 11447250) is benzyl 2-(furan-2-yl)acetate.
What is the SMILES notation for benzyl 2-(furan-2-yl)acetate?
The canonical SMILES for benzyl 2-(furan-2-yl)acetate is O=C(Cc1ccco1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(furan-2-yl)acetate?
The InChIKey is MEUIAGXNVDHICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(9-12-7-4-8-15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of benzyl 2-(furan-2-yl)acetate?
benzyl 2-(furan-2-yl)acetate has a molecular weight of 216.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(furan-2-yl)acetate is sourced from PubChem (CID 11447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).