methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate

C18H23NO5 — CID 69026701

IUPACmethyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
SMILESCCN(CC)Cc1ccc(-c2c(O)cc(O)cc2CC(=O)OC)o1
InChIInChI=1S/C18H23NO5/c1-4-19(5-2)11-14-6-7-16(24-14)18-12(9-17(22)23-3)8-13(20)10-15(18)21/h6-8,10,20-21H,4-5,9,11H2,1-3H3
InChIKeyKQNUVWDRUJBRAW-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.92
Rot. Bonds7

About methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate

methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate (PubChem CID 69026701) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
PubChem CID69026701
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namemethyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
SMILESCCN(CC)Cc1ccc(-c2c(O)cc(O)cc2CC(=O)OC)o1
InChIInChI=1S/C18H23NO5/c1-4-19(5-2)11-14-6-7-16(24-14)18-12(9-17(22)23-3)8-13(20)10-15(18)21/h6-8,10,20-21H,4-5,9,11H2,1-3H3
InChIKeyKQNUVWDRUJBRAW-UHFFFAOYSA-N
XLogP2.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The IUPAC name of methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate (CID 69026701) is methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate is CCN(CC)Cc1ccc(-c2c(O)cc(O)cc2CC(=O)OC)o1.
What is the InChIKey of methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The InChIKey is KQNUVWDRUJBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-4-19(5-2)11-14-6-7-16(24-14)18-12(9-17(22)23-3)8-13(20)10-15(18)21/h6-8,10,20-21H,4-5,9,11H2,1-3H3.
What are the key properties of methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate has a molecular weight of 333.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate is sourced from PubChem (CID 69026701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).