ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate

C12H13BrO2 — CID 66765078

IUPACethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H13BrO2/c1-2-15-11(14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3
InChIKeySHQSZJUOBJZOQM-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.04
Rot. Bonds3

About ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate

ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate (PubChem CID 66765078) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
PubChem CID66765078
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Nameethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H13BrO2/c1-2-15-11(14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3
InChIKeySHQSZJUOBJZOQM-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
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ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-(3-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxylate
CID 129090139
ethyl 3-(3-methylphenyl)azetidine-3-carboxylate
CID 170322404
ethyl 1-[3-(3-bromoanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate chloride
CID 53352949
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
ethyl 2-[1-(3-bromophenyl)-3-hydroxycyclobutyl]acetate
CID 139349540
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate (CID 66765078) is ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate?
The InChIKey is SHQSZJUOBJZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-2-15-11(14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3.
What are the key properties of ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate?
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate has a molecular weight of 269.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 66765078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).