(4-bromophenyl) cycloprop-2-ene-1-carboxylate

C10H7BrO2 — CID 175603214

IUPAC(4-bromophenyl) cycloprop-2-ene-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)C1C=C1
InChIInChI=1S/C10H7BrO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H
InChIKeyPHNLTGVUMWXZDT-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.54
Rot. Bonds2

About (4-bromophenyl) cycloprop-2-ene-1-carboxylate

(4-bromophenyl) cycloprop-2-ene-1-carboxylate (PubChem CID 175603214) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is (4-bromophenyl) cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) cycloprop-2-ene-1-carboxylate
PubChem CID175603214
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name(4-bromophenyl) cycloprop-2-ene-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)C1C=C1
InChIInChI=1S/C10H7BrO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H
InChIKeyPHNLTGVUMWXZDT-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromophenyl) cycloprop-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
CID 175603211
(4-bromophenyl) 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]cyclohexane-1-carboxylate
CID 40931882
CID 89378295
CID 89378295
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate
CID 155286419
2-O-(4-bromophenyl) 1-O-butyl cyclohexane-1,2-dicarboxylate
CID 91721746
[4-(4-bromophenyl)phenyl] 2,2-dimethylpropanoate
CID 22447512
(4-bromophenyl) N-ethynylcarbamate
CID 118588818
(4-bromophenyl) (1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 40837295
(4-bromophenyl) N-oxamoylcarbamate
CID 171934087
(4-bromophenyl) N-(sulfonylmethyl)carbamate
CID 87609424

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) cycloprop-2-ene-1-carboxylate?
The IUPAC name of (4-bromophenyl) cycloprop-2-ene-1-carboxylate (CID 175603214) is (4-bromophenyl) cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for (4-bromophenyl) cycloprop-2-ene-1-carboxylate?
The canonical SMILES for (4-bromophenyl) cycloprop-2-ene-1-carboxylate is O=C(Oc1ccc(Br)cc1)C1C=C1.
What is the InChIKey of (4-bromophenyl) cycloprop-2-ene-1-carboxylate?
The InChIKey is PHNLTGVUMWXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H.
What are the key properties of (4-bromophenyl) cycloprop-2-ene-1-carboxylate?
(4-bromophenyl) cycloprop-2-ene-1-carboxylate has a molecular weight of 239.07 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 175603214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).