2-(2-bromo-5-cyclopropylphenyl)acetic acid

C11H11BrO2 — CID 68804800

IUPAC2-(2-bromo-5-cyclopropylphenyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ccc1Br
InChIInChI=1S/C11H11BrO2/c12-10-4-3-8(7-1-2-7)5-9(10)6-11(13)14/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyRFEAVADQUORCPW-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-bromo-5-cyclopropylphenyl)acetic acid

2-(2-bromo-5-cyclopropylphenyl)acetic acid (PubChem CID 68804800) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(2-bromo-5-cyclopropylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-cyclopropylphenyl)acetic acid
PubChem CID68804800
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name2-(2-bromo-5-cyclopropylphenyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ccc1Br
InChIInChI=1S/C11H11BrO2/c12-10-4-3-8(7-1-2-7)5-9(10)6-11(13)14/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyRFEAVADQUORCPW-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-cyclopropylphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-5-cyclopropylphenyl)acetic acid (CID 68804800) is 2-(2-bromo-5-cyclopropylphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-cyclopropylphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-5-cyclopropylphenyl)acetic acid is O=C(O)Cc1cc(C2CC2)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-cyclopropylphenyl)acetic acid?
The InChIKey is RFEAVADQUORCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-4-3-8(7-1-2-7)5-9(10)6-11(13)14/h3-5,7H,1-2,6H2,(H,13,14).
What are the key properties of 2-(2-bromo-5-cyclopropylphenyl)acetic acid?
2-(2-bromo-5-cyclopropylphenyl)acetic acid has a molecular weight of 255.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-cyclopropylphenyl)acetic acid is sourced from PubChem (CID 68804800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).