ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate

C16H20O3 — CID 140932210

IUPACethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate
SMILESCCOC(=O)C1C2C(CC)C12c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-12-13-14(15(17)19-5-2)16(12,13)10-6-8-11(18-3)9-7-10/h6-9,12-14H,4-5H2,1-3H3
InChIKeyBSWXNAAXJPSMNA-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.78
Rot. Bonds5

About ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate

ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate (PubChem CID 140932210) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate
PubChem CID140932210
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate
SMILESCCOC(=O)C1C2C(CC)C12c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-12-13-14(15(17)19-5-2)16(12,13)10-6-8-11(18-3)9-7-10/h6-9,12-14H,4-5H2,1-3H3
InChIKeyBSWXNAAXJPSMNA-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,4R)-4-ethyl-1-(4-ethynylphenyl)bicyclo[1.1.0]butane-2-carboxylate
CID 140932192
carbon dioxide;ethyl (2R,4R)-1-(4-chlorophenyl)-4-ethylbicyclo[1.1.0]butane-2-carboxylate
CID 159623448
cis-ethyl (1S,3S)-3-[2-(4-methoxyphenyl)ethynyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 102414455
ethyl 4-(diethylamino)-5-(4-methoxyphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hex-3-ene-6-carboxylate
CID 10022675
ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
CID 11075965
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
diethyl (1S,2S,3R,4S)-4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 42560003
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
CID 20792268
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
CID 12531526

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate (CID 140932210) is ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate is CCOC(=O)C1C2C(CC)C12c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate?
The InChIKey is BSWXNAAXJPSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-12-13-14(15(17)19-5-2)16(12,13)10-6-8-11(18-3)9-7-10/h6-9,12-14H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate?
ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate has a molecular weight of 260.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate is sourced from PubChem (CID 140932210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).