methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate

C15H16O4 — CID 102392505

IUPACmethyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
SMILESCCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C
InChIInChI=1S/C15H16O4/c1-4-10-8-11(12-6-5-7-19-12)13(15(17)18-3)14(16)9(10)2/h5-8,16H,4H2,1-3H3
InChIKeyFCIBQENXPNBBEH-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.31
Rot. Bonds3

About methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate

methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate (PubChem CID 102392505) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
PubChem CID102392505
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
SMILESCCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C
InChIInChI=1S/C15H16O4/c1-4-10-8-11(12-6-5-7-19-12)13(15(17)18-3)14(16)9(10)2/h5-8,16H,4H2,1-3H3
InChIKeyFCIBQENXPNBBEH-UHFFFAOYSA-N
XLogP3.31
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
CID 10758019
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
CID 102014884
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
ethane;5-ethyl-2-(furan-2-yl)phenol
CID 145395239
3,5-diethyl-2,6-dimethylphenol
CID 23451688
methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
CID 61313379
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate?
The IUPAC name of methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate (CID 102392505) is methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate.
What is the SMILES notation for methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate?
The canonical SMILES for methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate is CCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C.
What is the InChIKey of methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate?
The InChIKey is FCIBQENXPNBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-10-8-11(12-6-5-7-19-12)13(15(17)18-3)14(16)9(10)2/h5-8,16H,4H2,1-3H3.
What are the key properties of methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate?
methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate has a molecular weight of 260.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 102392505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).