cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid

C10H9BrO2 — CID 40515058

IUPACcis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyDPBUJVBXRABXRH-RKDXNWHRSA-N
MW241.08 g/mol
LogP2.64
Rot. Bonds2

About cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid (PubChem CID 40515058) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid
PubChem CID40515058
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Namecis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyDPBUJVBXRABXRH-RKDXNWHRSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid (CID 40515058) is cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is DPBUJVBXRABXRH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.08 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 40515058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).