2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid

C17H15BrO2 — CID 116516668

IUPAC2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
SMILESO=C(O)C(c1ccccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C17H15BrO2/c18-15-9-5-4-8-12(15)16(17(19)20)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20)
InChIKeyGZAACNZHLRJDET-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid

2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid (PubChem CID 116516668) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
PubChem CID116516668
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
SMILESO=C(O)C(c1ccccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C17H15BrO2/c18-15-9-5-4-8-12(15)16(17(19)20)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20)
InChIKeyGZAACNZHLRJDET-UHFFFAOYSA-N
XLogP4.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341547
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 95858564
2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524
2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone
CID 57379071
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061
(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid?
The IUPAC name of 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid (CID 116516668) is 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid is O=C(O)C(c1ccccc1Br)C1CC1c1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid?
The InChIKey is GZAACNZHLRJDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-15-9-5-4-8-12(15)16(17(19)20)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16H,10H2,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid?
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid has a molecular weight of 331.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid is sourced from PubChem (CID 116516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).