(3-bromophenyl) 1-methylcyclopropane-1-carboxylate

C11H11BrO2 — CID 67255630

IUPAC(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C11H11BrO2/c1-11(5-6-11)10(13)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyZEUCDFARBIIWDY-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.15
Rot. Bonds2

About (3-bromophenyl) 1-methylcyclopropane-1-carboxylate

(3-bromophenyl) 1-methylcyclopropane-1-carboxylate (PubChem CID 67255630) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (3-bromophenyl) 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
PubChem CID67255630
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C11H11BrO2/c1-11(5-6-11)10(13)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyZEUCDFARBIIWDY-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate
CID 90871725
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
[1-(3-bromophenoxy)cyclopentyl] acetate
CID 91405050
potassium;(3-bromophenyl) oxirane-2-carboxylate;hydride
CID 174897565
1-(3-bromophenoxy)cyclopentane-1-carboxamide
CID 82134789
propan-2-yl 2-(3-bromophenoxy)prop-2-enoate
CID 175389875
4-(3-bromophenoxy)-4-oxobutanoic acid
CID 82123982
(3-formylphenyl) 1-ethylcyclobutane-1-carboxylate
CID 87316122
[1-(3-bromophenoxy)-3,3,5,5-tetramethylcyclohexyl] acetate
CID 91372695
(3-bromophenyl) 4-oxopiperidine-1-carboxylate
CID 116819231
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
(3-bromophenyl) 2,2-diphenylacetate
CID 19114604

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) 1-methylcyclopropane-1-carboxylate?
The IUPAC name of (3-bromophenyl) 1-methylcyclopropane-1-carboxylate (CID 67255630) is (3-bromophenyl) 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-bromophenyl) 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for (3-bromophenyl) 1-methylcyclopropane-1-carboxylate is CC1(C(=O)Oc2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl) 1-methylcyclopropane-1-carboxylate?
The InChIKey is ZEUCDFARBIIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-11(5-6-11)10(13)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of (3-bromophenyl) 1-methylcyclopropane-1-carboxylate?
(3-bromophenyl) 1-methylcyclopropane-1-carboxylate has a molecular weight of 255.11 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 67255630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).