(2,4-dibromophenyl) cyclopropanecarboxylate

C10H8Br2O2 — CID 836257

IUPAC(2,4-dibromophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C10H8Br2O2/c11-7-3-4-9(8(12)5-7)14-10(13)6-1-2-6/h3-6H,1-2H2
InChIKeyXARRKFBEODSBKI-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.53
Rot. Bonds2

About (2,4-dibromophenyl) cyclopropanecarboxylate

(2,4-dibromophenyl) cyclopropanecarboxylate (PubChem CID 836257) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is (2,4-dibromophenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2,4-dibromophenyl) cyclopropanecarboxylate
PubChem CID836257
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name(2,4-dibromophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C10H8Br2O2/c11-7-3-4-9(8(12)5-7)14-10(13)6-1-2-6/h3-6H,1-2H2
InChIKeyXARRKFBEODSBKI-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.53
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-bromo-4-(cyclopropanecarbonyloxy)benzoic acid
CID 54854518
bis(2,4-dibromophenyl) carbonate
CID 54492294
(2,4-dibromophenyl) carbonofluoridate
CID 165349274
(2,4-dibromophenyl) 2-hydroxyacetate
CID 130668337
(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
CID 138684182
ethyl 1-[(2S)-3-(2,4-dibromophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate
CID 2381859
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
(2,4-dibromophenyl) N-ethenylcarbamate
CID 71409205
(4-acetyl-2-bromophenyl) 1-methylpyrrolidine-3-carboxylate
CID 175506273
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
(2,4,5-trichlorophenyl) cyclopropanecarboxylate
CID 91694706
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl) cyclopropanecarboxylate?
The IUPAC name of (2,4-dibromophenyl) cyclopropanecarboxylate (CID 836257) is (2,4-dibromophenyl) cyclopropanecarboxylate.
What is the SMILES notation for (2,4-dibromophenyl) cyclopropanecarboxylate?
The canonical SMILES for (2,4-dibromophenyl) cyclopropanecarboxylate is O=C(Oc1ccc(Br)cc1Br)C1CC1.
What is the InChIKey of (2,4-dibromophenyl) cyclopropanecarboxylate?
The InChIKey is XARRKFBEODSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c11-7-3-4-9(8(12)5-7)14-10(13)6-1-2-6/h3-6H,1-2H2.
What are the key properties of (2,4-dibromophenyl) cyclopropanecarboxylate?
(2,4-dibromophenyl) cyclopropanecarboxylate has a molecular weight of 319.98 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl) cyclopropanecarboxylate is sourced from PubChem (CID 836257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).