benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate

C21H20O4 — CID 71485303

IUPACbenzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
SMILESCCc1c(-c2ccc(OC)cc2)coc1C(=O)OCc1ccccc1
InChIInChI=1S/C21H20O4/c1-3-18-19(16-9-11-17(23-2)12-10-16)14-24-20(18)21(22)25-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyYWBRAHRRZGINBV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.87
Rot. Bonds6

About benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate

benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate (PubChem CID 71485303) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
PubChem CID71485303
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Namebenzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
SMILESCCc1c(-c2ccc(OC)cc2)coc1C(=O)OCc1ccccc1
InChIInChI=1S/C21H20O4/c1-3-18-19(16-9-11-17(23-2)12-10-16)14-24-20(18)21(22)25-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyYWBRAHRRZGINBV-UHFFFAOYSA-N
XLogP4.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
benzyl (2S,3S)-2-amino-4-ethyl-3-(4-methoxyphenyl)-2,3-dihydrofuran-5-carboxylate
CID 134846190
benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46210451
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
CID 13277716
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
N'-(4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68864244
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate?
The IUPAC name of benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate (CID 71485303) is benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate.
What is the SMILES notation for benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate?
The canonical SMILES for benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate is CCc1c(-c2ccc(OC)cc2)coc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate?
The InChIKey is YWBRAHRRZGINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-3-18-19(16-9-11-17(23-2)12-10-16)14-24-20(18)21(22)25-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate?
benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate is sourced from PubChem (CID 71485303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).