ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate

C15H16O5 — CID 70918238

IUPACethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(OCc2ccccc2)C(=O)OC1C
InChIInChI=1S/C15H16O5/c1-3-18-14(16)12-10(2)20-15(17)13(12)19-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyNIAXAJYGJPFCBC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.97
Rot. Bonds5

About ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate

ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate (PubChem CID 70918238) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
PubChem CID70918238
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Nameethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(OCc2ccccc2)C(=O)OC1C
InChIInChI=1S/C15H16O5/c1-3-18-14(16)12-10(2)20-15(17)13(12)19-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyNIAXAJYGJPFCBC-UHFFFAOYSA-N
XLogP1.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-octyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 59180469
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl (2R,6R)-4,4-dimethyl-9-phenylmethoxy-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undec-9-ene-10-carboxylate
CID 101129564
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 11089094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate (CID 70918238) is ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate is CCOC(=O)C1=C(OCc2ccccc2)C(=O)OC1C.
What is the InChIKey of ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate?
The InChIKey is NIAXAJYGJPFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-18-14(16)12-10(2)20-15(17)13(12)19-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate?
ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate is sourced from PubChem (CID 70918238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).