ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate

C14H17BrO2 — CID 135741391

IUPACethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrO2/c1-2-17-14(16)9-10-7-12(8-10)11-3-5-13(15)6-4-11/h3-6,10,12H,2,7-9H2,1H3
InChIKeyRJYHNIPNSXKCAD-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.90
Rot. Bonds4

About ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate

ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate (PubChem CID 135741391) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
PubChem CID135741391
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Nameethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrO2/c1-2-17-14(16)9-10-7-12(8-10)11-3-5-13(15)6-4-11/h3-6,10,12H,2,7-9H2,1H3
InChIKeyRJYHNIPNSXKCAD-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-[4-(2-bromoacetyl)phenyl]cyclohexyl]acetate
CID 86634685
ethyl 2-[(2S,6R)-6-(4-bromophenyl)-4-methylpiperazin-2-yl]acetate
CID 161012593
ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate
CID 59464091
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
tert-butyl 3-(2-ethoxy-2-oxoethyl)-5-(4-formylphenyl)piperidine-1-carboxylate
CID 163370856
ethyl 2-[4-[4-[(2-hydrazinyl-2-oxoacetyl)amino]phenyl]cyclohexyl]acetate
CID 91058570
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
CID 82709978
ethyl 2-[1-(4-bromo-2-formylphenyl)pyrrolidin-3-yl]acetate
CID 23091112
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
[3-(4-bromophenyl)-5-propan-2-yloxycyclohexyl]methanol;formic acid
CID 172617819
ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate
CID 67129632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate (CID 135741391) is ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate is CCOC(=O)CC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate?
The InChIKey is RJYHNIPNSXKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-2-17-14(16)9-10-7-12(8-10)11-3-5-13(15)6-4-11/h3-6,10,12H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate?
ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate has a molecular weight of 297.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate is sourced from PubChem (CID 135741391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).