3,5-dibromo-2-prop-1-en-2-ylbenzoic acid

C10H8Br2O2 — CID 177194264

IUPAC3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H8Br2O2/c1-5(2)9-7(10(13)14)3-6(11)4-8(9)12/h3-4H,1H2,2H3,(H,13,14)
InChIKeyOJZCCYNDJYXCMH-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.94
Rot. Bonds2

About 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid

3,5-dibromo-2-prop-1-en-2-ylbenzoic acid (PubChem CID 177194264) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
PubChem CID177194264
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H8Br2O2/c1-5(2)9-7(10(13)14)3-6(11)4-8(9)12/h3-4H,1H2,2H3,(H,13,14)
InChIKeyOJZCCYNDJYXCMH-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,5-dibromo-3-methylbenzoic acid
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2,4-dibromobenzoic acid
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5,7-dibromonaphthalene-1-carboxylic acid
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3,5-dibromo-2-propoxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid?
The IUPAC name of 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid (CID 177194264) is 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid.
What is the SMILES notation for 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid?
The canonical SMILES for 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid is C=C(C)c1c(Br)cc(Br)cc1C(=O)O.
What is the InChIKey of 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid?
The InChIKey is OJZCCYNDJYXCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c1-5(2)9-7(10(13)14)3-6(11)4-8(9)12/h3-4H,1H2,2H3,(H,13,14).
What are the key properties of 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid?
3,5-dibromo-2-prop-1-en-2-ylbenzoic acid has a molecular weight of 319.98 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-prop-1-en-2-ylbenzoic acid is sourced from PubChem (CID 177194264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).