furan-2-yl 2,3-dimethylbenzoate

C13H12O3 — CID 175196099

IUPACfuran-2-yl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)Oc2ccco2)c1C
InChIInChI=1S/C13H12O3/c1-9-5-3-6-11(10(9)2)13(14)16-12-7-4-8-15-12/h3-8H,1-2H3
InChIKeyGYHKWIOXDYUHLE-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.12
Rot. Bonds2

About furan-2-yl 2,3-dimethylbenzoate

furan-2-yl 2,3-dimethylbenzoate (PubChem CID 175196099) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is furan-2-yl 2,3-dimethylbenzoate.

Molecular Properties

Compound Namefuran-2-yl 2,3-dimethylbenzoate
PubChem CID175196099
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namefuran-2-yl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)Oc2ccco2)c1C
InChIInChI=1S/C13H12O3/c1-9-5-3-6-11(10(9)2)13(14)16-12-7-4-8-15-12/h3-8H,1-2H3
InChIKeyGYHKWIOXDYUHLE-UHFFFAOYSA-N
XLogP3.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
fluoro 2,3-dimethylbenzoate
CID 174427719
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
aminomethyl 2,3-dimethylbenzoate
CID 66871801
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
2,3-dimethylbenzoyl iodide
CID 87941796
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
2,3-dimethylbenzamide;ethane
CID 143389789
3-oxopropyl 2,3-dimethylbenzoate
CID 174643723
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633

Frequently Asked Questions

What is the IUPAC name of furan-2-yl 2,3-dimethylbenzoate?
The IUPAC name of furan-2-yl 2,3-dimethylbenzoate (CID 175196099) is furan-2-yl 2,3-dimethylbenzoate.
What is the SMILES notation for furan-2-yl 2,3-dimethylbenzoate?
The canonical SMILES for furan-2-yl 2,3-dimethylbenzoate is Cc1cccc(C(=O)Oc2ccco2)c1C.
What is the InChIKey of furan-2-yl 2,3-dimethylbenzoate?
The InChIKey is GYHKWIOXDYUHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-5-3-6-11(10(9)2)13(14)16-12-7-4-8-15-12/h3-8H,1-2H3.
What are the key properties of furan-2-yl 2,3-dimethylbenzoate?
furan-2-yl 2,3-dimethylbenzoate has a molecular weight of 216.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 2,3-dimethylbenzoate is sourced from PubChem (CID 175196099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).