benzyl 2-(5-methylfuran-3-yl)acetate

C14H14O3 — CID 134443184

IUPACbenzyl 2-(5-methylfuran-3-yl)acetate
SMILESCc1cc(CC(=O)OCc2ccccc2)co1
InChIInChI=1S/C14H14O3/c1-11-7-13(10-16-11)8-14(15)17-9-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3
InChIKeyHARXXQNWXKCRHA-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.87
Rot. Bonds4

About benzyl 2-(5-methylfuran-3-yl)acetate

benzyl 2-(5-methylfuran-3-yl)acetate (PubChem CID 134443184) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is benzyl 2-(5-methylfuran-3-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(5-methylfuran-3-yl)acetate
PubChem CID134443184
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namebenzyl 2-(5-methylfuran-3-yl)acetate
SMILESCc1cc(CC(=O)OCc2ccccc2)co1
InChIInChI=1S/C14H14O3/c1-11-7-13(10-16-11)8-14(15)17-9-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3
InChIKeyHARXXQNWXKCRHA-UHFFFAOYSA-N
XLogP2.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
benzyl 2-(furan-2-yl)acetate
CID 11447250
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
CID 140798878
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
ethyl 2-phenylacetate
CID 7590
methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
CID 175494414
ethyl 2-phenylacetate;hydrate
CID 141257001
benzyl propanoate;hydrochloride
CID 140986165
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
benzyl 2-aminoacetate
CID 122130027

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-methylfuran-3-yl)acetate?
The IUPAC name of benzyl 2-(5-methylfuran-3-yl)acetate (CID 134443184) is benzyl 2-(5-methylfuran-3-yl)acetate.
What is the SMILES notation for benzyl 2-(5-methylfuran-3-yl)acetate?
The canonical SMILES for benzyl 2-(5-methylfuran-3-yl)acetate is Cc1cc(CC(=O)OCc2ccccc2)co1.
What is the InChIKey of benzyl 2-(5-methylfuran-3-yl)acetate?
The InChIKey is HARXXQNWXKCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-11-7-13(10-16-11)8-14(15)17-9-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3.
What are the key properties of benzyl 2-(5-methylfuran-3-yl)acetate?
benzyl 2-(5-methylfuran-3-yl)acetate has a molecular weight of 230.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-methylfuran-3-yl)acetate is sourced from PubChem (CID 134443184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).