ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate

C13H15BrO3 — CID 130399632

IUPACethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1OCc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO3/c1-2-16-13(15)11-7-12(11)17-8-9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3
InChIKeyGESUWGIXROOINH-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.92
Rot. Bonds5

About ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate

ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate (PubChem CID 130399632) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
PubChem CID130399632
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Nameethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1OCc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO3/c1-2-16-13(15)11-7-12(11)17-8-9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3
InChIKeyGESUWGIXROOINH-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675895
cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
CID 134969081
ethyl 5-(4-bromophenyl)oxepane-4-carboxylate
CID 144536290
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
1-O-[(4-bromophenyl)methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174418589
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
ethyl 3-[2-(4-bromophenyl)ethyl]-2H-azirine-2-carboxylate
CID 162377131
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate (CID 130399632) is ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate is CCOC(=O)C1CC1OCc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate?
The InChIKey is GESUWGIXROOINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-2-16-13(15)11-7-12(11)17-8-9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate?
ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate has a molecular weight of 299.16 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 130399632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).